Geometry & MOs

Info

ID:	435031
PubChem CID:	135178043
Reduced:	F3N5H16C24 (1)
Stoich.:	A3B5C16D24 (1)
Weight, g/mol:	447.10623
ΔH_f, kcal/mol:	19.58
Dipole, Da:	3.12
IP(EA), eV:	-8.51(-1.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-chloro-3-methylphenyl)-2-[1-(3,4-difluorophenyl)triazol-4-yl]quinolin-5-amine

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)NC2=CC=CC3=C2C=CC(=N3)C4=CN(N=N4)C5=CC(=C(C=C5)F)F)F

DOS

IR

Vibrations