Geometry & MOs

Info

ID:	279993
PubChem CID:	103846157
Reduced:	SN3H9C10 (1)
Stoich.:	AB3C9D10 (1)
Weight, g/mol:	215.105862
ΔH_f, kcal/mol:	69.57
Dipole, Da:	7.62
IP(EA), eV:	-8.8(-1.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(benzylamino)methyl]-1H-pyridazin-6-one

Drug info:

PubChemData

Smile

CC1=CC(=NC(=S)N1)C2=CC=NC=C2

DOS

IR

Vibrations