Geometry & MOs

Info

ID:	201509
PubChem CID:	79549076
Reduced:	ON2C15H30 (1)
Stoich.:	AB2C15D30 (1)
Weight, g/mol:	291.138992
ΔH_f, kcal/mol:	-76.61
Dipole, Da:	1.91
IP(EA), eV:	-8.53(2.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[1-[(4-chlorophenyl)methyl]pyrrolidin-2-yl]cyclohexan-1-one

Drug info:

PubChemData

Smile

CCC(COC)NC1CCCCC1C2CCCN2

DOS

IR

Vibrations