Geometry & MOs

Info

ID:	78630
PubChem CID:	49703243
Reduced:	O3N6C24H28 (1)
Stoich.:	A3B6C24D28 (1)
Weight, g/mol:	392.148455
ΔH_f, kcal/mol:	-38.29
Dipole, Da:	7.75
IP(EA), eV:	-8.98(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C2=NN(C(=O)C=C2)C(C)C(=O)NCCOC3=NC=NC(=C3)N4CCCC4

DOS

IR

Vibrations