Geometry & MOs

Info

ID:	213143
PubChem CID:	81062993
Reduced:	ClN2O3C13H19 (1)
Stoich.:	AB2C3D13E19 (1)
Weight, g/mol:	298.12772
ΔH_f, kcal/mol:	-144.29
Dipole, Da:	4.46
IP(EA), eV:	-9.06(-0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[2-(3,5-dimethyl-4-nitropyrazol-1-yl)acetyl]amino]-3-methylbutanoic acid

Drug info:

PubChemData

Smile

CC(C)N1C=C(C=C1C(=O)NCC(C)CC(=O)O)Cl

DOS

IR

Vibrations