Geometry & MOs

Info

ID:	57579
PubChem CID:	22425534
Reduced:	ON4C22H24 (1)
Stoich.:	AB4C22D24 (1)
Weight, g/mol:	464.188212
ΔH_f, kcal/mol:	28.46
Dipole, Da:	3.29
IP(EA), eV:	-8.89(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(4-methylphenyl)methyl]-1-[6-(4-methylphenyl)sulfonylpyridazin-3-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC(C1=CC=CC=C1)NC(=O)C2CCCN(C2)C3=NC4=CC=CC=C4N=C3

DOS

IR

Vibrations