Geometry & MOs

Info

ID:	261689
PubChem CID:	103245538
Reduced:	N2O3C11H22 (1)
Stoich.:	A2B3C11D22 (1)
Weight, g/mol:	279.121906
ΔH_f, kcal/mol:	-139.15
Dipole, Da:	1.44
IP(EA), eV:	-8.64(0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[(1-methylpyrrolidin-3-yl)amino]methyl]-6-nitrobenzoic acid

Drug info:

PubChemData

Smile

CCOC(=O)COCCNC1CCN(C1)C

DOS

IR

Vibrations