Geometry & MOs

Info

ID:	203640
PubChem CID:	79853290
Reduced:	BrO2C12H17 (1)
Stoich.:	AB2C12D17 (1)
Weight, g/mol:	278.235814
ΔH_f, kcal/mol:	-82.54
Dipole, Da:	2.88
IP(EA), eV:	-9.21(0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[[4-(cyclopropylmethyl)piperazin-1-yl]methyl]-2,2-dimethylcyclohexan-1-one

Drug info:

PubChemData

Smile

CC1(CCCCC1(C2=C(C=CO2)Br)O)C

DOS

IR

Vibrations