Geometry & MOs

Info

ID:	72432
PubChem CID:	48416170
Reduced:	NO6C22H27 (1)
Stoich.:	AB6C22D27 (1)
Weight, g/mol:	319.178358
ΔH_f, kcal/mol:	-211.45
Dipole, Da:	3.62
IP(EA), eV:	-8.44(-0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCOC1=CC=C(C=C1)CC(CNC(=O)C2=CC(=C(C=C2)OC)OC)C(=O)OC

DOS

IR

Vibrations