Geometry & MOs

Info

ID:

328056

PubChem CID:

126691887

Reduced:

N3O5F6H31C32 (1)

Stoich.:

A3B5C6D31E32 (1)

Weight, g/mol:

372.231397

ΔHf, kcal/mol:

-453.82

Dipole, Da:

4.97

IP(EA), eV:

 -8.68(-1.3)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-(3,5-dimethyl-2H-pyrrol-4-yl)-N-methyl-2-(methylideneamino)-6-[2-methyl-3-(propan-2-ylideneamino)phenyl]aniline

Drug info:

PubChemData

Smile

CC1[C@H](OC(=O)N1CC2=C(C=CC(=N2)N3CCC3)C4=C(C=CC(=C4)CCC(=O)OC)OC)C5=CC(=CC(=C5)C(F)(F)F)C(F)(F)F

DOS

IR

Vibrations