Geometry & MOs

Info

ID:	131814
PubChem CID:	51264512
Reduced:	O2N4C13H20 (1)
Stoich.:	A2B4C13D20 (1)
Weight, g/mol:	331.128054
ΔH_f, kcal/mol:	-76.83
Dipole, Da:	4.04
IP(EA), eV:	-9.17(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(5-methyl-1,2-oxazol-3-yl)-4-(2-nitrophenyl)piperazine-1-carboxamide

Drug info:

PubChemData

Smile

CCN(CC(=O)NC(C)C)C(=O)NC1=CN=CC=C1

DOS

IR

Vibrations