Geometry & MOs

Info

ID:	264338
PubChem CID:	103455160
Reduced:	N2O2C13H22 (1)
Stoich.:	A2B2C13D22 (1)
Weight, g/mol:	172.109944
ΔH_f, kcal/mol:	-80.85
Dipole, Da:	4.36
IP(EA), eV:	-9.12(0.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-hydroxy-3-methyl-1-(oxolan-3-yl)butan-1-one

Drug info:

PubChemData

Smile

CCC1=NN(C(=C1)CC(=O)C(C(C)C)O)CC

DOS

IR

Vibrations