Geometry & MOs

Info

ID:	65036
PubChem CID:	29204366
Reduced:	NO2C11H12 (2)
Stoich.:	AB2C11D12 (2)
Weight, g/mol:	391.189592
ΔH_f, kcal/mol:	-132.03
Dipole, Da:	7.91
IP(EA), eV:	-9.1(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

butyl 4-[(3,5-dimethyl-1-phenylpyrazole-4-carbonyl)amino]benzoate

Drug info:

PubChemData

Smile

CCCCOC(=O)C1=CC=C(C=C1)NC(=O)/C(=C/C2=CC=CC=C2)/NC(=O)C

DOS

IR

Vibrations