Geometry & MOs

Info

ID:	178858
PubChem CID:	76391815
Reduced:	O3C9H11 (2)
Stoich.:	A3B9C11 (2)
Weight, g/mol:	398.233621
ΔH_f, kcal/mol:	-173.34
Dipole, Da:	1.74
IP(EA), eV:	-9.8(-0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

decyl 2-[(2-aminoacetyl)amino]-3-phenylpropanoate;hydrochloride

Drug info:

PubChemData

Smile

CCOC(=O)C=CC1CCC(OO1)CC(=O)OCC2=CC=CC=C2

DOS

IR

Vibrations