Geometry & MOs

Info

ID:	248160
PubChem CID:	103079336
Reduced:	N4O4C11H18 (1)
Stoich.:	A4B4C11D18 (1)
Weight, g/mol:	254.101505
ΔH_f, kcal/mol:	-78.34
Dipole, Da:	9.77
IP(EA), eV:	-9.05(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-cyclopropyl-2-[(1-methyl-4-nitropyrazol-3-yl)amino]propanoic acid

Drug info:

PubChemData

Smile

CC(CCC(=O)O)CCNC1=NN(C=C1[N+](=O)[O-])C

DOS

IR

Vibrations