Geometry & MOs

Info

ID:	1647
PubChem CID:	4818
Reduced:	O3N4C14H14 (1)
Stoich.:	A3B4C14D14 (1)
Weight, g/mol:	286.10659
ΔH_f, kcal/mol:	-32.4
Dipole, Da:	2.63
IP(EA), eV:	-9.06(-1.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[3-hydroxy-5-(hydroxymethyl)-2-methylpyridin-4-yl]methylideneamino]pyridine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=NC=C(C(=C1O)C=NNC(=O)C2=CC=NC=C2)CO

DOS

IR

Vibrations