Geometry & MOs

Info

ID:	297735
PubChem CID:	117627783
Reduced:	NF2O5C11H15 (1)
Stoich.:	AB2C5D11E15 (1)
Weight, g/mol:	520.143281
ΔH_f, kcal/mol:	-310.03
Dipole, Da:	1.27
IP(EA), eV:	-10.02(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[3-(3-chlorophenyl)-4-methoxyphenyl]methyl]-6-[4-(2-chlorophenyl)piperazin-1-yl]pyridazin-3-one

Drug info:

PubChemData

Smile

CC(=O)/C=C\N([C@H]1[C@@H]([C@@H]([C@](O1)(CO)F)O)F)C(=O)C

DOS

IR

Vibrations