Geometry & MOs

Info

ID:	132053
PubChem CID:	51300520
Reduced:	O2N3C20H21 (1)
Stoich.:	A2B3C20D21 (1)
Weight, g/mol:	255.096754
ΔH_f, kcal/mol:	-27.77
Dipole, Da:	7.14
IP(EA), eV:	-8.22(-0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-carbamoyl-3-(3,5-dimethyl-4-nitropyrazol-1-yl)propanamide

Drug info:

PubChemData

Smile

C1CC(C1)(C2=CC=CC=C2)C(=O)NC3=CC=C(C=C3)N4CCNC4=O

DOS

IR

Vibrations