Geometry & MOs

Info

ID:	438532
PubChem CID:	135228275
Reduced:	ON7C15H15 (1)
Stoich.:	AB7C15D15 (1)
Weight, g/mol:	274.10659
ΔH_f, kcal/mol:	143.47
Dipole, Da:	4.46
IP(EA), eV:	-9.09(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 5-hydroxy-5,6-dihydro-4H-triazolo[1,5-a][1,5]benzodiazepine-3-carboxylate

Drug info:

PubChemData

Smile

CC1=C2CC3C4C3(N=CN4C5=CC=CC=C5N2N=N1)/C(=N/O)/N

DOS

IR

Vibrations