Geometry & MOs

Info

ID:	72542
PubChem CID:	48416286
Reduced:	NO5C20H29 (1)
Stoich.:	AB5C20D29 (1)
Weight, g/mol:	396.168522
ΔH_f, kcal/mol:	-220.59
Dipole, Da:	4.46
IP(EA), eV:	-8.8(0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCOC1=CC=C(C=C1)CC(CNC(=O)COC2CCCC2)C(=O)OC

DOS

IR

Vibrations