Geometry & MOs

Info

ID:	166618
PubChem CID:	74718016
Reduced:	N3O3C20H26 (1)
Stoich.:	A3B3C20D26 (1)
Weight, g/mol:	362.186852
ΔH_f, kcal/mol:	-48.9
Dipole, Da:	2.4
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.754805
Charge, e:	1

Chem-info

IUPAC name:

N-(1-benzylpyrrolidin-1-ium-3-yl)-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide

Drug info:

PubChemData

Smile

CC(C1=CC2=CC=CC=C2O1)NC(=O)C[NH+]3CCN(CC3)C(=O)C4CC4

DOS

IR

Vibrations