Geometry & MOs

Info

ID:	123723
PubChem CID:	50859719
Reduced:	O2N3C25H29 (1)
Stoich.:	A2B3C25D29 (1)
Weight, g/mol:	424.11503
ΔH_f, kcal/mol:	-23.35
Dipole, Da:	8.89
IP(EA), eV:	-8.19(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(Z)-2-(3-bromophenyl)-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)OC)/C=C(\C#N)/C(=O)NC3=CC=CC=C3C)C)(C)C

DOS

IR

Vibrations