Geometry & MOs

Info

ID:	258842
PubChem CID:	103157217
Reduced:	NOCl3C14H18 (1)
Stoich.:	ABC3D14E18 (1)
Weight, g/mol:	252.111007
ΔH_f, kcal/mol:	-73.49
Dipole, Da:	2.14
IP(EA), eV:	-9.03(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(3-aminobenzoyl)amino]-3-methoxybutanoic acid

Drug info:

PubChemData

Smile

C1CCC(C1)CC(CNC2=C(C=C(C=C2Cl)Cl)Cl)O

DOS

IR

Vibrations