Geometry & MOs

Info

ID:	121713
PubChem CID:	50778528
Reduced:	OSN5H21C22 (1)
Stoich.:	ABC5D21E22 (1)
Weight, g/mol:	454.200491
ΔH_f, kcal/mol:	73.53
Dipole, Da:	3.08
IP(EA), eV:	-9.12(-1.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2,5-dimethoxyphenyl)methyl]-3-[[6-(4-methylphenyl)pyridazin-3-yl]amino]benzamide

Drug info:

PubChemData

Smile

CCC1=NC2=NC(=NN2C(=C1)SC3=CC=CC=C3NC(=O)CC4=CC=CC=C4)C

DOS

IR

Vibrations