Geometry & MOs

Info

ID:

435638

PubChem CID:

135192020

Reduced:

O2N4C25H30 (1)

Stoich.:

A2B4C25D30 (1)

Weight, g/mol:

555.336196

ΔHf, kcal/mol:

-8.98

Dipole, Da:

2.22

IP(EA), eV:

 -9.01(-0.22)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-[(4E)-4-(1-aminoethylidene)-5-ethenylimino-1-(2-methylpropyl)pyrrol-3-yl]-N-[1-(2,5-dimethylidene-1-phenyl-7,8-dihydro-6H-quinolin-3-yl)ethenyl]aniline

Drug info:

PubChemData

Smile

CCC(C)/C(=C\C(=N)C(=O)N[C@H]1CNC2=CC=CC=C2N(C1=O)C)/CC3=CC=CC=C3

DOS

IR

Vibrations