Geometry & MOs

Info

ID:	78656
PubChem CID:	49703433
Reduced:	NOC6H6 (4)
Stoich.:	ABC6D6 (4)
Weight, g/mol:	391.153206
ΔH_f, kcal/mol:	-54.03
Dipole, Da:	3.13
IP(EA), eV:	-8.24(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[3-(1,3-benzodioxol-5-yl)-6-oxopyridazin-1-yl]-N-[(4-methylphenyl)methyl]propanamide

Drug info:

PubChemData

Smile

CC(C(=O)N1CCN(CC1)C2=CC=CC=C2)N3C(=O)C=CC(=N3)C4=CC5=C(C=C4)OCO5

DOS

IR

Vibrations