Geometry & MOs

Info

ID:	438327
PubChem CID:	135228060
Reduced:	N2C8H11 (2)
Stoich.:	A2B8C11 (2)
Weight, g/mol:	446.146679
ΔH_f, kcal/mol:	55.89
Dipole, Da:	7.85
IP(EA), eV:	-8.78(-0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2,4-difluorophenyl)-6-(3,5-dimethyltriazol-4-yl)-N-(3-fluoropyridin-2-yl)quinolin-4-amine

Drug info:

PubChemData

Smile

CC1=C(N(N=N1)C)C2=CC(=C(C=C2)N=C(C)C)C(C)C

DOS

IR

Vibrations