Geometry & MOs

Info

ID:	20682
PubChem CID:	585170
Reduced:	BrN2O3H25C26 (1)
Stoich.:	AB2C3D25E26 (1)
Weight, g/mol:	492.10486
ΔH_f, kcal/mol:	-70.68
Dipole, Da:	1.96
IP(EA), eV:	-9.47(-1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(7-bromo-2-oxo-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl) adamantane-1-carboxylate

Drug info:

PubChemData

Smile

C1C2CC3CC1CC(C2)(C3)C(=O)OC4C(=O)NC5=C(C=C(C=C5)Br)C(=N4)C6=CC=CC=C6

DOS

IR

Vibrations