Geometry & MOs

Info

ID:	321373
PubChem CID:	126665905
Reduced:	NOC16H19 (1)
Stoich.:	ABC16D19 (1)
Weight, g/mol:	575.205671
ΔH_f, kcal/mol:	-23.3
Dipole, Da:	1.77
IP(EA), eV:	-8.59(0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3-carbamimidoylphenyl)-N-[5-[(3-cyanophenyl)-[cyclopropyl(methyl)amino]methyl]-2-fluorophenyl]-5-(trifluoromethyl)pyrazole-3-carboxamide

Drug info:

PubChemData

Smile

CC(C)C1=CC(=C(C=C1)CO)C2=CC(=CC=C2)N

DOS

IR

Vibrations