Geometry & MOs

Info

ID:	203790
PubChem CID:	79871606
Reduced:	NOC6H11 (2)
Stoich.:	ABC6D11 (2)
Weight, g/mol:	287.079373
ΔH_f, kcal/mol:	-116.45
Dipole, Da:	4.73
IP(EA), eV:	-9.71(0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[[6-(hydroxymethyl)-4-oxopyran-3-yl]oxymethyl]-2-methoxybenzonitrile

Drug info:

PubChemData

Smile

CC1(CCCC1NC(=O)C2COCC2N)C

DOS

IR

Vibrations