Geometry & MOs

Info

ID:	16710
PubChem CID:	475628
Reduced:	ClN2O3C18H25 (1)
Stoich.:	AB2C3D18E25 (1)
Weight, g/mol:	352.15537
ΔH_f, kcal/mol:	-143.31
Dipole, Da:	2.56
IP(EA), eV:	-8.93(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 7-chloro-1-methyl-2-oxo-3-propan-2-yl-3,5-dihydro-1,4-benzodiazepine-4-carboxylate

Drug info:

PubChemData

Smile

CC(C)C1C(=O)N(C2=C(CN1C(=O)OC(C)(C)C)C=C(C=C2)Cl)C

DOS

IR

Vibrations