Geometry & MOs

Info

ID:	72411
PubChem CID:	48416147
Reduced:	NO6C22H25 (1)
Stoich.:	AB6C22D25 (1)
Weight, g/mol:	355.178358
ΔH_f, kcal/mol:	-205.71
Dipole, Da:	3.81
IP(EA), eV:	-8.89(-0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-[(4-ethoxyphenyl)methyl]-3-[(3-methylbenzoyl)amino]propanoate

Drug info:

PubChemData

Smile

CCOC1=CC=C(C=C1)CC(CNC(=O)C2COC3=CC=CC=C3O2)C(=O)OC

DOS

IR

Vibrations