Geometry & MOs

Info

ID:	155357
PubChem CID:	56352948
Reduced:	NO2C10H14 (2)
Stoich.:	AB2C10D14 (2)
Weight, g/mol:	420.216141
ΔH_f, kcal/mol:	-187.05
Dipole, Da:	3.48
IP(EA), eV:	-9.61(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-acetyl-N-[2-methyl-4-(2-methylpropylcarbamoyl)phenyl]-2-phenyl-3,4-dihydropyrazole-5-carboxamide

Drug info:

PubChemData

Smile

CCOC(=O)C1CCCCN1C(=O)C2=CC=C(C=C2)C(=O)NC(C)(C)C

DOS

IR

Vibrations