Geometry & MOs

Info

ID:	133840
PubChem CID:	51599687
Reduced:	N3C21H35 (1)
Stoich.:	A3B21C35 (1)
Weight, g/mol:	361.260351
ΔH_f, kcal/mol:	15.72
Dipole, Da:	1.66
IP(EA), eV:	-8.36(-0.08)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

5-acetyl-2,4-dimethyl-N-[(3S)-1-(1-methylpiperidin-4-yl)piperidin-1-ium-3-yl]-1H-pyrrole-3-carboxamide

Drug info:

PubChemData

Smile

CCC[NH+]1CCC(CC1)N2CC[NH+](CC2)C/C=C/C3=CC=CC=C3

DOS

IR

Vibrations