Geometry & MOs

Info

ID:	123891
PubChem CID:	50864104
Reduced:	ON3C26H27 (1)
Stoich.:	AB3C26D27 (1)
Weight, g/mol:	392.08881
ΔH_f, kcal/mol:	41.33
Dipole, Da:	5.51
IP(EA), eV:	-7.97(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(Z)-2-(3-bromophenyl)-3-(1,2,2,4-tetramethylquinolin-6-yl)prop-2-enenitrile

Drug info:

PubChemData

Smile

CC1=CC(N(C2=C1C=C(C=C2)/C=N\NC(=O)CC3=CC=CC4=CC=CC=C43)C)(C)C

DOS

IR

Vibrations