Geometry & MOs

Info

ID:	138192
PubChem CID:	52326620
Reduced:	ON2C22H25 (1)
Stoich.:	AB2C22D25 (1)
Weight, g/mol:	360.14337
ΔH_f, kcal/mol:	24.33
Dipole, Da:	4.24
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.414844
Charge, e:	0

Chem-info

IUPAC name:

1-(2-methoxyethyl)-N-methyl-N-[(1R)-1-(3-nitrophenyl)ethyl]-6-oxopyridazine-3-carboxamide

Drug info:

PubChemData

Smile

C[NH+](C)[C@H](CC1=CC=CC=C1)CNC(=O)C2=CC3=CC=CC=C3C=C2

DOS

IR

Vibrations