Geometry & MOs

Info

ID:	75208
PubChem CID:	48423175
Reduced:	SO2N3C19H25 (1)
Stoich.:	AB2C3D19E25 (1)
Weight, g/mol:	395.220892
ΔH_f, kcal/mol:	-14.64
Dipole, Da:	3.99
IP(EA), eV:	-8.94(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl N-[1-[4-(2,3-dimethylphenyl)piperazin-1-yl]-1-oxo-3-phenylpropan-2-yl]carbamate

Drug info:

PubChemData

Smile

CC(C(=O)N1CCN(CC1)CC2=NC3=CC=CC=C3S2)OCC4CC4

DOS

IR

Vibrations