Geometry & MOs

Info

ID:	28883
PubChem CID:	830270
Reduced:	NO2C19H25 (1)
Stoich.:	AB2C19D25 (1)
Weight, g/mol:	333.15896
ΔH_f, kcal/mol:	-86.52
Dipole, Da:	2.47
IP(EA), eV:	-8.78(0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(1H-benzimidazol-2-ylmethylamino)-1,5-dimethyl-2-phenylpyrazol-3-one

Drug info:

PubChemData

Smile

CCC1=CC=CC=C1NC(=O)[C@@]23CC[C@@](C2(C)C)(C(=O)C3)C

DOS

IR

Vibrations