Geometry & MOs

Info

ID:	76045
PubChem CID:	48424352
Reduced:	NO2C10H14 (2)
Stoich.:	AB2C10D14 (2)
Weight, g/mol:	323.128821
ΔH_f, kcal/mol:	-125.46
Dipole, Da:	3.14
IP(EA), eV:	-8.98(0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-(4-chlorophenyl)morpholin-4-yl]-2-(cyclopropylmethoxy)propan-1-one

Drug info:

PubChemData

Smile

CC(C(=O)NCCC1=CC=C(C=C1)OCC(=O)NC2CC2)OCC3CC3

DOS

IR

Vibrations