Geometry & MOs

Info

ID:	74185
PubChem CID:	48421561
Reduced:	SN3O4C19H27 (1)
Stoich.:	AB3C4D19E27 (1)
Weight, g/mol:	389.224932
ΔH_f, kcal/mol:	-129.91
Dipole, Da:	6.44
IP(EA), eV:	-8.45(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-cyano-4,5-dimethylthiophen-2-yl)-4-[2-(4-methylpiperazin-1-yl)ethyl]piperidine-1-carboxamide

Drug info:

PubChemData

Smile

CC(C)OCCOCC(CN(C)C(=O)NC1=NC(=CS1)C2=CC=CC=C2)O

DOS

IR

Vibrations