Geometry & MOs

Info

ID:	19910
PubChem CID:	574961
Reduced:	OSN2C9H18 (1)
Stoich.:	ABC2D9E18 (1)
Weight, g/mol:	202.113984
ΔH_f, kcal/mol:	-61.06
Dipole, Da:	1.37
IP(EA), eV:	-9.13(-0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-butyl-6-methyl-2-sulfanyl-5,6-dihydro-4H-pyrimidin-4-ol

Drug info:

PubChemData

Smile

CCCCN1C(CC(N=C1S)C)O

DOS

IR

Vibrations