Geometry & MOs

Info

ID:	79656
PubChem CID:	49829868
Reduced:	OSN5C22H23 (1)
Stoich.:	ABC5D22E23 (1)
Weight, g/mol:	420.286232
ΔH_f, kcal/mol:	76.38
Dipole, Da:	5.21
IP(EA), eV:	-8.62(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

5-acetyl-N-[[1-(2-methoxyethyl)piperidin-1-ium-4-yl]methyl]-2,4-dimethyl-N-(oxolan-2-ylmethyl)-1H-pyrrole-3-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)NC(=S)NNC(=O)C=CC2=CN(N=C2)CC3=CC=CC=C3)C

DOS

IR

Vibrations