Geometry & MOs

Info

ID:	142380
PubChem CID:	53025330
Reduced:	FON4C24H25 (1)
Stoich.:	ABC4D24E25 (1)
Weight, g/mol:	432.23254
ΔH_f, kcal/mol:	-19.42
Dipole, Da:	5.17
IP(EA), eV:	-8.76(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-butylphenyl)-1-[6-(3-fluorophenyl)pyridazin-3-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1)NC(=O)C2CCN(CC2)C3=NN=C(C=C3)C4=CC(=CC=C4)F)C

DOS

IR

Vibrations