Geometry & MOs

Info

ID:	128673
PubChem CID:	51053757
Reduced:	N3O3C20H27 (1)
Stoich.:	A3B3C20D27 (1)
Weight, g/mol:	278.083747
ΔH_f, kcal/mol:	-70.09
Dipole, Da:	8.96
IP(EA), eV:	-8.59(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(3,5-dimethyl-1,2-oxazol-4-yl)-1-methyl-2,4-dihydropyrazolo[3,4-e][1,4]thiazepin-7-one

Drug info:

PubChemData

Smile

CC(C)OC1=C(C=C(C=C1)C2CC(=O)N=C3C2=CNN3C(C)(C)C)OC

DOS

IR

Vibrations