Geometry & MOs

Info

ID:	89788
PubChem CID:	49964554
Reduced:	O2S2N4C13H16 (1)
Stoich.:	A2B2C4D13E16 (1)
Weight, g/mol:	229.09636
ΔH_f, kcal/mol:	-10.17
Dipole, Da:	4.29
IP(EA), eV:	-9.22(-1.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4,4-dimethyl-5H-tetrazolo[1,5-a][1,4]benzodiazepin-6-one

Drug info:

PubChemData

Smile

C1CC(OC1)CN2CCC3=C(C2)C(=O)N4C(=N3)SC(=S)N4

DOS

IR

Vibrations