Geometry & MOs

Info

ID:	143403
PubChem CID:	53203707
Reduced:	ClON5C18H18 (1)
Stoich.:	ABC5D18E18 (1)
Weight, g/mol:	362.155432
ΔH_f, kcal/mol:	55.6
Dipole, Da:	7.77
IP(EA), eV:	-9.24(-1.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2,4-difluorophenyl)methyl]-1-(1-methyl-6-oxopyridazin-4-yl)piperidine-3-carboxamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C(=O)N2CCN(CC2)C3=NN=C4N3C=CC=C4Cl

DOS

IR

Vibrations