Geometry & MOs

Info

ID:	213381
PubChem CID:	81063584
Reduced:	NO3C11H21 (1)
Stoich.:	AB3C11D21 (1)
Weight, g/mol:	277.131408
ΔH_f, kcal/mol:	-178.62
Dipole, Da:	5.02
IP(EA), eV:	-9.88(0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[(E)-3-(3-methoxyphenyl)prop-2-enoyl]amino]-3-methylbutanoic acid

Drug info:

PubChemData

Smile

CC(CC(=O)O)CNC(=O)CC(C)(C)C

DOS

IR

Vibrations