Geometry & MOs

Info

ID:	304019
PubChem CID:	124491369
Reduced:	NOC9H13 (2)
Stoich.:	ABC9D13 (2)
Weight, g/mol:	259.132077
ΔH_f, kcal/mol:	-78.86
Dipole, Da:	1.95
IP(EA), eV:	-8.92(0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(1S)-1-amino-2-methylpropyl]-N-phenyl-1,2-oxazole-4-carboxamide

Drug info:

PubChemData

Smile

C1CNCCC1[C@@H](CC(=O)N2CCOCC2)C3=CC=CC=C3

DOS

IR

Vibrations