Geometry & MOs

Info

ID:	61115
PubChem CID:	26705810
Reduced:	NO4C20H21 (1)
Stoich.:	AB4C20D21 (1)
Weight, g/mol:	414.124943
ΔH_f, kcal/mol:	-128.49
Dipole, Da:	2.34
IP(EA), eV:	-8.56(0.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2-methoxy-4-methylphenyl) 1-(2-cyanophenyl)sulfonylpiperidine-4-carboxylate

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)OC(=O)CC2=CC=C(C=C2)N3CCCC3=O)OC

DOS

IR

Vibrations