Geometry & MOs

Info

ID:	11659
PubChem CID:	118704
Reduced:	OC12H18 (1)
Stoich.:	AB12C18 (1)
Weight, g/mol:	178.135765
ΔH_f, kcal/mol:	-54.11
Dipole, Da:	2.41
IP(EA), eV:	-9.11(0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-benzylpentan-3-ol

Drug info:

PubChemData

Smile

CCC(CC)(CC1=CC=CC=C1)O

DOS

IR

Vibrations