Geometry & MOs

Info

ID:	206153
PubChem CID:	80213772
Reduced:	BrNOC18H28 (1)
Stoich.:	ABCD18E28 (1)
Weight, g/mol:	295.287515
ΔH_f, kcal/mol:	-55.76
Dipole, Da:	1.87
IP(EA), eV:	-8.65(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-[[cyclopentyl(3-methylbutyl)amino]methyl]-4-methylcyclohexyl]methanol

Drug info:

PubChemData

Smile

CC(C)CN(CCC(C1=CC=C(C=C1)Br)O)C2CCCC2

DOS

IR

Vibrations