Geometry & MOs

Info

ID:	159075
PubChem CID:	57260122
Reduced:	NC18H32 (1)
Stoich.:	AB18C32 (1)
Weight, g/mol:	246.100442
ΔH_f, kcal/mol:	10.09
Dipole, Da:	1.58
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.897204
Charge, e:	0

Chem-info

IUPAC name:

1-[2-hydroxy-3-(2-oxopyridin-1-yl)propyl]pyridin-2-one

Drug info:

PubChemData

Smile

CC(=CCCC(=CC[N+]1(CCCCC1)CC=C)C)C

DOS

IR

Vibrations