Geometry & MOs

Info

ID:	271713
PubChem CID:	103689445
Reduced:	NOC12H19 (1)
Stoich.:	ABC12D19 (1)
Weight, g/mol:	258.111676
ΔH_f, kcal/mol:	-45.34
Dipole, Da:	3.58
IP(EA), eV:	-8.71(0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-methyl-N-[(6-methylpyridin-2-yl)methyl]-6-oxo-1H-pyridazine-3-carboxamide

Drug info:

PubChemData

Smile

CCC[C@H](C1=C(C=C(C=C1)C)OC)N

DOS

IR

Vibrations