Geometry & MOs

Info

ID:	340267
PubChem CID:	127262278
Reduced:	NO6C28H37 (1)
Stoich.:	AB6C28D37 (1)
Weight, g/mol:	158.094294
ΔH_f, kcal/mol:	-198.67
Dipole, Da:	2.91
IP(EA), eV:	-8.81(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl [(Z)-3-methylpent-2-enyl] carbonate

Drug info:

PubChemData

Smile

CCCCCCCOC(=O)OC1=CC=C(C=C1)C(=O)O/N=C/C2=CC=C(C=C2)OCCCCCC

DOS

IR

Vibrations