Geometry & MOs

Info

ID:	322139
PubChem CID:	126668849
Reduced:	ON2C14H30 (1)
Stoich.:	AB2C14D30 (1)
Weight, g/mol:	351.324963
ΔH_f, kcal/mol:	-77.24
Dipole, Da:	2.85
IP(EA), eV:	-8.71(2.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,2-dimethyl-1-[4-[3-methyl-3-(1-methylazepan-4-yl)butyl]piperazin-1-yl]propan-1-one

Drug info:

PubChemData

Smile

CC(C)N(CCC1CCN1C(C)(C)C)CCO

DOS

IR

Vibrations