Geometry & MOs

Info

ID:	251350
PubChem CID:	103103359
Reduced:	N3O4C12H21 (1)
Stoich.:	A3B4C12D21 (1)
Weight, g/mol:	265.106256
ΔH_f, kcal/mol:	-192.84
Dipole, Da:	7.21
IP(EA), eV:	-9.54(0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[(2-amino-2-oxoethyl)-ethylcarbamoyl]amino]benzoic acid

Drug info:

PubChemData

Smile

CCN(CC(=O)N)C(=O)N1CCC(CC1)(C)C(=O)O

DOS

IR

Vibrations