Geometry & MOs

Info

ID:	78698
PubChem CID:	49703764
Reduced:	FO4N5C26H26 (1)
Stoich.:	AB4C5D26E26 (1)
Weight, g/mol:	406.164105
ΔH_f, kcal/mol:	-116.48
Dipole, Da:	6.45
IP(EA), eV:	-9.17(-1.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[2-[3-(4-ethoxyphenyl)-6-oxopyridazin-1-yl]propanoylamino]benzamide

Drug info:

PubChemData

Smile

CC(C(=O)NCCNC(=O)C1=CC=C(C=C1)NC(=O)C2CC2)N3C(=O)C=CC(=N3)C4=CC=C(C=C4)F

DOS

IR

Vibrations