Geometry & MOs

Info

ID:	416774
PubChem CID:	135090337
Reduced:	ClNO2C18H24 (1)
Stoich.:	ABC2D18E24 (1)
Weight, g/mol:	321.194008
ΔH_f, kcal/mol:	-98.52
Dipole, Da:	4.85
IP(EA), eV:	-9.23(0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2-ethoxyethoxy)-N-ethyl-N-(oxan-4-yl)benzamide

Drug info:

PubChemData

Smile

CO[C@@H]1CCC[C@@]12CCCN(C2)C(=O)CC3=CC(=CC=C3)Cl

DOS

IR

Vibrations