Geometry & MOs

Info

ID:	196675
PubChem CID:	78863007
Reduced:	NO2C12H18 (2)
Stoich.:	AB2C12D18 (2)
Weight, g/mol:	356.176979
ΔH_f, kcal/mol:	-185.68
Dipole, Da:	4.67
IP(EA), eV:	-8.69(0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3,3-dimethylbutyl 1-methyl-4-piperidin-1-ylsulfonylpyrrole-2-carboxylate

Drug info:

PubChemData

Smile

CC(C)CN1CCOC(C1)COC(=O)C2CCN(CC2)C(=O)CCC3=CC=CC=C3

DOS

IR

Vibrations