Geometry & MOs

Info

ID:	126072
PubChem CID:	50950421
Reduced:	ClNO5C19H22 (1)
Stoich.:	ABC5D19E22 (1)
Weight, g/mol:	348.204907
ΔH_f, kcal/mol:	-206.8
Dipole, Da:	5.02
IP(EA), eV:	-9.72(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-ethoxyphenyl)-N'-ethyl-N'-(oxan-4-ylmethyl)propanediamide

Drug info:

PubChemData

Smile

C1CC(C(=O)C1)CC(=O)N2CCC(CC2)(C(=O)O)OC3=CC=C(C=C3)Cl

DOS

IR

Vibrations