Geometry & MOs

Info

ID:	136576
PubChem CID:	52066907
Reduced:	N4O5C25H30 (1)
Stoich.:	A4B5C25D30 (1)
Weight, g/mol:	380.20865
ΔH_f, kcal/mol:	-96.5
Dipole, Da:	3.8
IP(EA), eV:	-8.47(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

1-methyl-N-[1-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-1-ium-4-yl]pyrrole-2-carboxamide

Drug info:

PubChemData

Smile

CCOC1=CC=C(C=C1)C(=O)NC2CCN(CC2)CC3=NC(=NO3)C4=CC(=C(C=C4)OC)OC

DOS

IR

Vibrations