Geometry & MOs

Info

ID:	375107
PubChem CID:	131466015
Reduced:	ISO3H7C10 (1)
Stoich.:	ABC3D7E10 (1)
Weight, g/mol:	209.116427
ΔH_f, kcal/mol:	-80.27
Dipole, Da:	4.31
IP(EA), eV:	-8.98(-1.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methyl-5-propan-2-yl-4,5,7,8-tetrahydro-[1,2]oxazolo[4,3-e][1,4]diazepin-6-one

Drug info:

PubChemData

Smile

C1=CC(=C(C2=C1C=C(S2)CC(=O)O)O)I

DOS

IR

Vibrations