Geometry & MOs

Info

ID:	123889
PubChem CID:	50864064
Reduced:	N2O3C25H32 (1)
Stoich.:	A2B3C25D32 (1)
Weight, g/mol:	382.165683
ΔH_f, kcal/mol:	-102.95
Dipole, Da:	12.9
IP(EA), eV:	-8.1(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(Z)-3-(1,2,2,4-tetramethylquinolin-6-yl)-2-[3-(trifluoromethyl)phenyl]prop-2-enenitrile

Drug info:

PubChemData

Smile

CCCN1C2=C(C=C(C(=C2)OC)C=NC3=C(C=C(C=C3)C(=O)O)C)C(CC1(C)C)C

DOS

IR

Vibrations