Geometry & MOs

Info

ID:	258793
PubChem CID:	103157040
Reduced:	NO2C17H27 (1)
Stoich.:	AB2C17D27 (1)
Weight, g/mol:	294.157957
ΔH_f, kcal/mol:	-93.57
Dipole, Da:	2.74
IP(EA), eV:	-8.71(0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)CCNCC(CC2CCCC2)O

DOS

IR

Vibrations