Geometry & MOs

Info

ID:	123721
PubChem CID:	50859659
Reduced:	FOSN3C24H26 (1)
Stoich.:	ABCD3E24F26 (1)
Weight, g/mol:	386.210661
ΔH_f, kcal/mol:	-30.87
Dipole, Da:	3.61
IP(EA), eV:	-8.07(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-2-(1H-benzimidazol-2-yl)-3-(7-methoxy-1,2,2,4-tetramethyl-3,4-dihydroquinolin-6-yl)prop-2-enenitrile

Drug info:

PubChemData

Smile

CC1CC(N(C2=C1C=C(C(=C2)F)/C=C/3\C(=O)N=C(S3)NC4=CC=C(C=C4)C)C)(C)C

DOS

IR

Vibrations