Geometry & MOs

Info

ID:	42944
PubChem CID:	10317318
Reduced:	ClO3C22H27 (1)
Stoich.:	AB3C22D27 (1)
Weight, g/mol:	374.033731
ΔH_f, kcal/mol:	-77.53
Dipole, Da:	6.72
IP(EA), eV:	-8.78(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(3,5-dichlorophenyl)methyl]-6-oxo-3-pyridin-4-yl-1H-pyridazine-5-carboxamide

Drug info:

PubChemData

Smile

CC(=O)O[C@]1(CCC2[C@@]1(CCC3C2C=C(C4=CC(=O)C=C[C@@]34C)Cl)C)C

DOS

IR

Vibrations