Geometry & MOs

Info

ID:	258821
PubChem CID:	103157135
Reduced:	NOC16H25 (1)
Stoich.:	ABC16D25 (1)
Weight, g/mol:	266.126657
ΔH_f, kcal/mol:	-70.94
Dipole, Da:	2.42
IP(EA), eV:	-8.2(0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[(2S)-2-amino-2-phenylacetyl]amino]-3-methoxybutanoic acid

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1)NCC(CC2CCCC2)O)C

DOS

IR

Vibrations