Geometry & MOs

Info

ID:	4453
PubChem CID:	11429
Reduced:	OC2H5 (2)
Stoich.:	AB2C5 (2)
Weight, g/mol:	90.06808
ΔH_f, kcal/mol:	-110.06
Dipole, Da:	3.18
IP(EA), eV:	-10.27(2.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

butane-1,2-diol

Drug info:

PubChemData

Smile

CCC(CO)O

DOS

IR

Vibrations