Geometry & MOs

Info

ID:	395768
PubChem CID:	135026482
Reduced:	NH7C8 (2)
Stoich.:	AB7C8 (2)
Weight, g/mol:	387.03711
ΔH_f, kcal/mol:	85.33
Dipole, Da:	2.31
IP(EA), eV:	-7.73(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S)-2-(4-bromophenyl)-3-(6-methylquinolin-2-yl)cyclopropane-1,1-dicarbonitrile

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1)[N-]/C(=C/[N+]3=CC=CC=C3)/C=C2

DOS

IR

Vibrations