Geometry & MOs

Info

ID:	234552
PubChem CID:	92298677
Reduced:	O3N4H12C18 (1)
Stoich.:	A3B4C12D18 (1)
Weight, g/mol:	337.09819
ΔH_f, kcal/mol:	61.46
Dipole, Da:	8.87
IP(EA), eV:	-9.07(-1.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-chloro-N-[(Z)-[(Z)-3-(2-methoxyphenyl)prop-2-enylidene]amino]quinolin-4-amine

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C(=CN2)/C=C(/C#N)\C(=O)NC3=CC=CC=C3[N+](=O)[O-]

DOS

IR

Vibrations