Geometry & MOs

Info

ID:	121317
PubChem CID:	50763107
Reduced:	N3O4C27H27 (1)
Stoich.:	A3B4C27D27 (1)
Weight, g/mol:	434.195405
ΔH_f, kcal/mol:	-109.9
Dipole, Da:	5.02
IP(EA), eV:	-8.71(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[2-(4-ethoxyanilino)-2-oxoethyl]-6-(4-methylphenyl)-3-oxopyridazin-4-yl]propanamide

Drug info:

PubChemData

Smile

COC1=CC=CC(=C1)CN2C3=CC=CC=C3C(=O)N(C2=O)CCCCC(=O)NC4=CC=CC=C4

DOS

IR

Vibrations