Geometry & MOs

Info

ID:	321232
PubChem CID:	126665461
Reduced:	F3N4O4H17C19 (1)
Stoich.:	A3B4C4D17E19 (1)
Weight, g/mol:	557.240245
ΔH_f, kcal/mol:	-250.33
Dipole, Da:	2.37
IP(EA), eV:	-9.19(-1.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3-cyanophenyl)-N-[3-[(cyclopropylmethylamino)-(4-propan-2-ylphenyl)methyl]phenyl]-5-(trifluoromethyl)pyrazole-3-carboxamide

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)NC1=NC=CC2=C1C=C(C=C2)N3C(=CC(=N3)C(F)(F)F)C(=O)O

DOS

IR

Vibrations