Geometry & MOs

Info

ID:	147713
PubChem CID:	53787370
Reduced:	PO3C6H13 (2)
Stoich.:	AB3C6D13 (2)
Weight, g/mol:	224.094963
ΔH_f, kcal/mol:	-413.3
Dipole, Da:	1.42
IP(EA), eV:	-9.86(0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(4-methylphenyl)methyl]-2-oxopyridine-3-carbonitrile

Drug info:

PubChemData

Smile

CCOP(=O)(CC(=CP(=O)(OCC)OCC)C)OCC

DOS

IR

Vibrations