Geometry & MOs

Info

ID:

81903

PubChem CID:

49855331

Reduced:

SN5O8C37H55 (1)

Stoich.:

AB5C8D37E55 (1)

Weight, g/mol:

771.453056

ΔHf, kcal/mol:

-347.56

Dipole, Da:

3.94

IP(EA), eV:

 -8.98(-1.06)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-benzyl-N-[3-(2-methylpropoxy)-2-pyrrolidin-1-ylpropyl]aniline;2-[4-[(Z)-4-chloro-1,2-diphenylbut-1-enyl]phenoxy]-N,N-dimethylethanamine

Drug info:

PubChemData

Smile

CC[C@H](C)[C@@H](C(=O)N(COC)[C@H](C[C@H](C1=NC(=CS1)C(=O)N[C@@H](CC2=CC=CC=C2)C(=O)OC)OC(=O)C)C(C)C)NC(=O)[C@H]3CCCCN3C

DOS

IR

Vibrations