Geometry & MOs

Info

ID:	367146
PubChem CID:	127323539
Reduced:	ON4C22H28 (1)
Stoich.:	AB4C22D28 (1)
Weight, g/mol:	382.21689
ΔH_f, kcal/mol:	4.37
Dipole, Da:	5.98
IP(EA), eV:	-8.96(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-(3-fluorophenyl)cyclohexyl]-[4-(pyridazin-3-ylamino)piperidin-1-yl]methanone

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)C2(CCCC2)C(=O)N3CCC(CC3)NC4=NN=CC=C4

DOS

IR

Vibrations