Geometry & MOs

Info

ID:	261255
PubChem CID:	103224360
Reduced:	O3N4C11H12 (1)
Stoich.:	A3B4C11D12 (1)
Weight, g/mol:	215.05422
ΔH_f, kcal/mol:	-18.12
Dipole, Da:	6.67
IP(EA), eV:	-9.57(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methoxy-2-(3-nitropyrazol-1-yl)propanoic acid

Drug info:

PubChemData

Smile

COCC(C(=O)O)N1N=C(N=N1)C2=CC=CC=C2

DOS

IR

Vibrations