Geometry & MOs

Info

ID:	429917
PubChem CID:	135169972
Reduced:	OPF2N8H23C25 (1)
Stoich.:	ABC2D8E23F25 (1)
Weight, g/mol:	223.110947
ΔH_f, kcal/mol:	40.05
Dipole, Da:	8.16
IP(EA), eV:	-8.79(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1Z)-2-(quinolin-5-yliminomethyl)buta-1,3-dien-1-amine

Drug info:

PubChemData

Smile

CC(=C)C1=NC2=CC=CC=C2C(=C1)N=C(/C(=C\N)/C(=O)NC3=CC(=C(N=C3)N4N=CC=N4)P)C(C)(F)F

DOS

IR

Vibrations