Geometry & MOs

Info

ID:	167958
PubChem CID:	74906189
Reduced:	ClNO3C21H22 (1)
Stoich.:	ABC3D21E22 (1)
Weight, g/mol:	381.194008
ΔH_f, kcal/mol:	-88.34
Dipole, Da:	3.42
IP(EA), eV:	-9.5(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 3-[benzyl-[3-(4-ethoxyphenyl)prop-2-enoyl]amino]propanoate

Drug info:

PubChemData

Smile

CCOC(=O)CCN(CC1=CC=CC=C1)C(=O)C=CC2=CC=C(C=C2)Cl

DOS

IR

Vibrations