Geometry & MOs

Info

ID:	321410
PubChem CID:	126665970
Reduced:	O2F3N5H20C24 (1)
Stoich.:	A2B3C5D20E24 (1)
Weight, g/mol:	505.183793
ΔH_f, kcal/mol:	-112.4
Dipole, Da:	3.57
IP(EA), eV:	-9.33(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3-cyanophenyl)-N-[3-[[1-(cyclopropylmethylamino)pyrazol-4-yl]methyl]phenyl]-5-(trifluoromethyl)pyrazole-3-carboxamide

Drug info:

PubChemData

Smile

C1=CC(=CC(=C1)N2C(=CC(=N2)C(F)(F)F)C(=O)NC3=CC=CC(=C3)C(C4=CN=CC=C4)O)CN

DOS

IR

Vibrations