Geometry & MOs

Info

ID:	429868
PubChem CID:	135169921
Reduced:	OF6N6H14C19 (1)
Stoich.:	AB6C6D14E19 (1)
Weight, g/mol:	476.163312
ΔH_f, kcal/mol:	-238.23
Dipole, Da:	9.46
IP(EA), eV:	-9.2(-1.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[amino(difluoro)methyl]-N-[5-methyl-6-(1-methyltetrazol-5-yl)pyridin-3-yl]-1-quinolin-5-ylpyrazole-4-carboxamide

Drug info:

PubChemData

Smile

CC1=CN2C(=N1)C=CC=C2/N=C(/C(=C\N)/C(=O)NC3=CC(=NC=C3)C(F)(F)F)\C(F)(F)F

DOS

IR

Vibrations