Geometry & MOs

Info

ID:	361100
PubChem CID:	127302016
Reduced:	SO3N4C19H30 (1)
Stoich.:	AB3C4D19E30 (1)
Weight, g/mol:	388.247441
ΔH_f, kcal/mol:	-109.46
Dipole, Da:	8.76
IP(EA), eV:	-8.21(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1,4-dimethylpiperazin-2-yl)methyl]-1-(2-phenoxyacetyl)piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)N2CCC[C@H]2C(=O)NCC3CN(CCN3C)C

DOS

IR

Vibrations