Geometry & MOs

Info

ID:	31917
PubChem CID:	3723326
Reduced:	OC11H17 (2)
Stoich.:	AB11C17 (2)
Weight, g/mol:	179.069477
ΔH_f, kcal/mol:	-96.44
Dipole, Da:	5.62
IP(EA), eV:	-8.62(0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(hydroxyiminomethyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyridine-5-carbonitrile

Drug info:

PubChemData

Smile

CC1(C(=O)CCC2(C1=CCC3C2CCC4(C3CCC4(C)O)C)C)C

DOS

IR

Vibrations