Geometry & MOs

Info

ID:	252678
PubChem CID:	103113199
Reduced:	OSN2C6H10 (1)
Stoich.:	ABC2D6E10 (1)
Weight, g/mol:	290.101505
ΔH_f, kcal/mol:	-41.88
Dipole, Da:	4.69
IP(EA), eV:	-8.98(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2-methyl-3-nitrophenyl)methyl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide

Drug info:

PubChemData

Smile

CC(CC1=CSC(=O)N1)N

DOS

IR

Vibrations