Geometry & MOs

Info

ID:	72462
PubChem CID:	48416202
Reduced:	N3O4C18H21 (1)
Stoich.:	A3B4C18D21 (1)
Weight, g/mol:	371.173273
ΔH_f, kcal/mol:	-111.43
Dipole, Da:	1.73
IP(EA), eV:	-8.7(-1.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations