Geometry & MOs

Info

ID:	4216
PubChem CID:	10976
Reduced:	OC7H16 (1)
Stoich.:	AB7C16 (1)
Weight, g/mol:	116.120115
ΔH_f, kcal/mol:	-84.07
Dipole, Da:	1.95
IP(EA), eV:	-10.35(2.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

heptan-2-ol

Drug info:

PubChemData

Smile

CCCCCC(C)O

DOS

IR

Vibrations