Geometry & MOs

Info

ID:	49361
PubChem CID:	11532915
Reduced:	IN3O3H14C20 (1)
Stoich.:	AB3C3D14E20 (1)
Weight, g/mol:	470.068815
ΔH_f, kcal/mol:	4.66
Dipole, Da:	4.04
IP(EA), eV:	-9.0(-1.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-chloro-3-(trifluoromethyl)phenyl]-6-(4-fluorophenyl)-1,3-dimethylpyrazolo[4,3-c]pyridin-4-amine;hydrochloride

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C(=CN2CC(=O)O)/C=C(\C#N)/C(=O)NC3=CC=C(C=C3)I

DOS

IR

Vibrations