Geometry & MOs

Info

ID:	208530
PubChem CID:	80540733
Reduced:	N3O3C12H23 (1)
Stoich.:	A3B3C12D23 (1)
Weight, g/mol:	298.10842
ΔH_f, kcal/mol:	-139.3
Dipole, Da:	3.96
IP(EA), eV:	-8.97(0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[(3-chlorophenyl)methyl-methylcarbamoyl]amino]-2-methylbutanoic acid

Drug info:

PubChemData

Smile

CC(CCNC(=O)NCCCNC1CC1)C(=O)O

DOS

IR

Vibrations