Geometry & MOs

Info

ID:

160218

PubChem CID:

57309564

Reduced:

N3O4C14H16 (2)

Stoich.:

A3B4C14D16 (2)

Weight, g/mol:

600.356323

ΔHf, kcal/mol:

-238.92

Dipole, Da:

12.39

IP(EA), eV:

 -9.52(-1.42)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S)-2-(3,4-dimethoxyphenyl)-2-propan-2-yl-5-[(3S)-6,7,8-trimethoxy-2-phenyl-1-propan-2-yl-3,4-dihydro-1H-isoquinolin-3-yl]pentanenitrile

Drug info:

PubChemData

Smile

CCC(C(=O)NC1=C(C2=C(CC3CC4[C@@H](C(=O)C(C(=O)[C@]4(C(=O)C3C2=O)O)C(=O)N)N(C)C)C=C1)O)N5C=NN=C5C

DOS

IR

Vibrations