Geometry & MOs

Info

ID:	328748
PubChem CID:	126727255
Reduced:	INSC6H8 (1)
Stoich.:	ABCD6E8 (1)
Weight, g/mol:	204.136159
ΔH_f, kcal/mol:	32.47
Dipole, Da:	2.55
IP(EA), eV:	-9.24(-1.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-hydroxybutyl 2-methylbutan-2-yl carbonate

Drug info:

PubChemData

Smile

CCC1=NC(=C(S1)C)I

DOS

IR

Vibrations