Geometry & MOs

Info

ID:	15491
PubChem CID:	442536
Reduced:	NO3C10H11 (1)
Stoich.:	AB3C10D11 (1)
Weight, g/mol:	193.073893
ΔH_f, kcal/mol:	-100.91
Dipole, Da:	2.89
IP(EA), eV:	-9.09(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-methyl-1-oxo-3,4,6,7-tetrahydropyrano[3,4-c]pyridine-5-carbaldehyde

Drug info:

PubChemData

Smile

CC1C(=C2CCOC(=O)C2=CN1)C=O

DOS

IR

Vibrations