Geometry & MOs

Info

ID:	36335
PubChem CID:	8001822
Reduced:	N2O3H9C10 (2)
Stoich.:	A2B3C9D10 (2)
Weight, g/mol:	389.177313
ΔH_f, kcal/mol:	-115.97
Dipole, Da:	7.79
IP(EA), eV:	-9.29(-1.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3,5-dimethyl-4-[[4-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperazin-1-yl]methyl]-1,2-oxazole

Drug info:

PubChemData

Smile

COC1=C(C=CC(=C1)[N+](=O)[O-])NC(=O)CN2C(=O)[C@]3(CCC4=CC=CC=C43)NC2=O

DOS

IR

Vibrations