Geometry & MOs

Info

ID:	69347
PubChem CID:	46530785
Reduced:	O2N3C19H25 (1)
Stoich.:	A2B3C19D25 (1)
Weight, g/mol:	476.245727
ΔH_f, kcal/mol:	-56.05
Dipole, Da:	6.55
IP(EA), eV:	-9.11(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-methyl-5-(2-methylpiperidin-1-yl)sulfonylphenyl]-[4-(piperidine-1-carbonyl)piperazin-1-yl]methanone

Drug info:

PubChemData

Smile

C1CCN(CC1)C(=O)N2CCN(CC2)C(=O)/C=C/C3=CC=CC=C3

DOS

IR

Vibrations