Geometry & MOs

Info

ID:	136551
PubChem CID:	52061127
Reduced:	ClFO2N4C23H25 (1)
Stoich.:	ABC2D4E23F25 (1)
Weight, g/mol:	456.120047
ΔH_f, kcal/mol:	-29.14
Dipole, Da:	6.67
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.989301
Charge, e:	0

Chem-info

IUPAC name:

N-(4-chlorophenyl)-1-[2-[(2,3-dimethoxyphenyl)methylamino]-2-oxoethyl]-6-oxopyridazine-3-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)C2=NOC(=N2)C[NH+]3CCC(CC3)C(=O)NCC4=CC(=C(C=C4)F)Cl

DOS

IR

Vibrations