Geometry & MOs

Info

ID:	393193
PubChem CID:	135019689
Reduced:	ClNO4C17H18 (1)
Stoich.:	ABC4D17E18 (1)
Weight, g/mol:	154.062994
ΔH_f, kcal/mol:	-66.15
Dipole, Da:	8.02
IP(EA), eV:	-8.9(-1.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-methyl-4H-pyran-3-carboxylate

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)OCCCOC2=CC(=C(C=C2)[N+](=O)[O-])CCl

DOS

IR

Vibrations