Geometry & MOs

Info

ID:	336810
PubChem CID:	127255817
Reduced:	ON3C12H15 (1)
Stoich.:	AB3C12D15 (1)
Weight, g/mol:	317.173942
ΔH_f, kcal/mol:	6.43
Dipole, Da:	3.9
IP(EA), eV:	-9.09(-0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 3-(2-oxo-4,5-dihydro-3H-1,4-benzodiazepin-1-yl)azetidine-1-carboxylate

Drug info:

PubChemData

Smile

C1C(CN1)N2CC3=CC=CC=C3NC(=O)C2

DOS

IR

Vibrations