Geometry & MOs

Info

ID:	245507
PubChem CID:	99453617
Reduced:	Cl2O2N4C25H26 (1)
Stoich.:	A2B2C4D25E26 (1)
Weight, g/mol:	431.144533
ΔH_f, kcal/mol:	-36.29
Dipole, Da:	5.37
IP(EA), eV:	-8.51(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-fluorophenyl)-N-[(R)-(4-fluorophenyl)-phenylmethyl]-N-methyl-6-oxopyridazine-3-carboxamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)N2C(=C(C(=N2)C)NC(=O)[C@H]3CCCN(C3)C(=O)C4=CC(=C(C=C4)Cl)Cl)C

DOS

IR

Vibrations