Geometry & MOs

Info

ID:	136710
PubChem CID:	52087914
Reduced:	N3O5C27H27 (1)
Stoich.:	A3B5C27D27 (1)
Weight, g/mol:	404.233802
ΔH_f, kcal/mol:	-79.94
Dipole, Da:	2.42
IP(EA), eV:	-8.62(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

N-[(2S)-2-(4-methylphenyl)-2-pyrrolidin-1-ium-1-ylethyl]-3-(5-phenyl-1,3-oxazol-2-yl)propanamide

Drug info:

PubChemData

Smile

COC1=CC(=CC(=C1OC)OC)CN(C2=CC=CC=N2)C(=O)CCC3=NC=C(O3)C4=CC=CC=C4

DOS

IR

Vibrations