Geometry & MOs

Info

ID:	374379
PubChem CID:	131327680
Reduced:	BrNSO3H8C10 (1)
Stoich.:	ABCD3E8F10 (1)
Weight, g/mol:	223.132077
ΔH_f, kcal/mol:	-15.96
Dipole, Da:	5.11
IP(EA), eV:	-9.35(-1.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-amino-2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-pyrrolidin-1-ylethanone

Drug info:

PubChemData

Smile

C1=C(C=C2C(=C1CBr)C=C(S2)[N+](=O)[O-])CO

DOS

IR

Vibrations