Geometry & MOs

Info

ID:	268101
PubChem CID:	103597878
Reduced:	N2O4H18C21 (1)
Stoich.:	A2B4C18D21 (1)
Weight, g/mol:	384.127441
ΔH_f, kcal/mol:	-65.59
Dipole, Da:	2.31
IP(EA), eV:	-9.24(-1.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-butyl-1-[2-(4-chlorophenyl)ethenylsulfonyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

COC(=O)C1=CC=C(C=C1)C=CC(=O)NCC2=NC=C(O2)C3=CC=CC=C3

DOS

IR

Vibrations