Geometry & MOs

Info

ID:	261468
PubChem CID:	103235190
Reduced:	NO2C9H17 (1)
Stoich.:	AB2C9D17 (1)
Weight, g/mol:	208.084792
ΔH_f, kcal/mol:	-102.63
Dipole, Da:	4.29
IP(EA), eV:	-9.32(0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[(2-amino-2-oxoethyl)amino]methyl]benzoic acid

Drug info:

PubChemData

Smile

CC(C)(C)NC1CCC1C(=O)O

DOS

IR

Vibrations