Geometry & MOs

Info

ID:	326673
PubChem CID:	126687980
Reduced:	N3O3C25H29 (1)
Stoich.:	A3B3C25D29 (1)
Weight, g/mol:	559.183124
ΔH_f, kcal/mol:	-33.37
Dipole, Da:	2.08
IP(EA), eV:	-8.92(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)N(C1=CN=C(C(=N1)C2=CC=CC=C2)C3=CC=CC=C3)OCC(=O)OC(C)(C)C

DOS

IR

Vibrations