Geometry & MOs

Info

ID:	298984
PubChem CID:	117665370
Reduced:	NPO2H38C41 (1)
Stoich.:	ABC2D38E41 (1)
Weight, g/mol:	260.07758
ΔH_f, kcal/mol:	-1.12
Dipole, Da:	1.62
IP(EA), eV:	-8.35(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R)-3-(5-bromopentyl)-3-methylcyclohexan-1-one

Drug info:

PubChemData

Smile

C1CCCC(CCC1)N(C(C2=CC=CC=C2)C3=CC=CC=C3)P4OC5=C(C6=CC=CC=C6C=C5)C7=C(O4)C=CC8=CC=CC=C87

DOS

IR

Vibrations