Geometry & MOs

Info

ID:	205432
PubChem CID:	80099807
Reduced:	N3C14H27 (1)
Stoich.:	A3B14C27 (1)
Weight, g/mol:	259.084458
ΔH_f, kcal/mol:	-12.47
Dipole, Da:	1.41
IP(EA), eV:	-8.7(1.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(3-hydroxyphenyl)methyl]-6-methyl-2-oxopyridine-3-carboxylic acid

Drug info:

PubChemData

Smile

CCC(CC)N1C(=C(C(=N1)C)C(CC)NC)C

DOS

IR

Vibrations