Geometry & MOs

Info

ID:	177706
PubChem CID:	76219216
Reduced:	NC13H27 (1)
Stoich.:	AB13C27 (1)
Weight, g/mol:	168.078644
ΔH_f, kcal/mol:	-42.03
Dipole, Da:	1.83
IP(EA), eV:	-9.32(1.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(3,4-dihydro-2H-pyran-5-yl)-2-methylprop-2-enoic acid

Drug info:

PubChemData

Smile

CCC=CCCCCCCC(CC)N

DOS

IR

Vibrations