Geometry & MOs

Info

ID:	362245
PubChem CID:	127307258
Reduced:	ClO3N4C18H27 (1)
Stoich.:	AB3C4D18E27 (1)
Weight, g/mol:	393.172228
ΔH_f, kcal/mol:	-107.55
Dipole, Da:	3.83
IP(EA), eV:	-8.49(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-ethenyl-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]piperidine-1-carboxamide

Drug info:

PubChemData

Smile

CN1CCN(C(C1)CNC(=O)NCC2=CC3=C(C(=C2)Cl)OCCCO3)C

DOS

IR

Vibrations