Geometry & MOs

Info

ID:	68527
PubChem CID:	46508591
Reduced:	ClO2N4C21H25 (1)
Stoich.:	AB2C4D21E25 (1)
Weight, g/mol:	473.206304
ΔH_f, kcal/mol:	-24.43
Dipole, Da:	5.07
IP(EA), eV:	-8.82(-0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-[1-[[2-[(4,5-dimethyl-1-oxo-2H-furo[3,4-d]pyridazin-7-yl)amino]-2-oxoethyl]-methylamino]ethyl]phenyl]benzamide

Drug info:

PubChemData

Smile

CN(CC1=NC2=C(N1CC3=CC=CC=C3)C=CC(=C2)Cl)CC(=O)NCCOC

DOS

IR

Vibrations