Geometry & MOs

Info

ID:	327000
PubChem CID:	126688821
Reduced:	NSO4C9H19 (1)
Stoich.:	ABC4D9E19 (1)
Weight, g/mol:	555.224595
ΔH_f, kcal/mol:	-160.05
Dipole, Da:	14.7
IP(EA), eV:	-9.4(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C[NH+](C)CCC(CCCC=O)S(=O)(=O)[O-]

DOS

IR

Vibrations