Geometry & MOs

Info

ID:	248145
PubChem CID:	103079273
Reduced:	N4O4C11H16 (1)
Stoich.:	A4B4C11D16 (1)
Weight, g/mol:	282.132805
ΔH_f, kcal/mol:	-67.89
Dipole, Da:	10.71
IP(EA), eV:	-9.29(-1.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-cyclohexyl-2-[(1-methyl-4-nitropyrazol-3-yl)amino]acetic acid

Drug info:

PubChemData

Smile

CN1C=C(C(=N1)N2CCCCC2CC(=O)O)[N+](=O)[O-]

DOS

IR

Vibrations