Geometry & MOs

Info

ID:	27046
PubChem CID:	813619
Reduced:	N3O3C17H21 (1)
Stoich.:	A3B3C17D21 (1)
Weight, g/mol:	332.11207
ΔH_f, kcal/mol:	-54.13
Dipole, Da:	3.12
IP(EA), eV:	-9.71(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-nitro-N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]-N-propylbenzamide

Drug info:

PubChemData

Smile

CC[C@H](C)N(CC(=O)NC1=NOC=C1)C(=O)C2=CC=CC=C2C

DOS

IR

Vibrations