Geometry & MOs

Info

ID:	44813
PubChem CID:	10506032
Reduced:	O8C29H40 (1)
Stoich.:	A8B29C40 (1)
Weight, g/mol:	516.273656
ΔH_f, kcal/mol:	-283.4
Dipole, Da:	5.23
IP(EA), eV:	-8.34(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

benzyl N-[1-[2-(3-azabicyclo[3.2.2]nonan-3-yl)-2-oxoethyl]-5-ethyl-9-methyl-2-oxo-3H-1,4-benzodiazepin-3-yl]carbamate

Drug info:

PubChemData

Smile

CCOC(/C=C/C(=O)[C@](C)(C1=C(C=C(C(=C1)OC)C)OCC2=CC=CC=C2)OCOCCOC)OCC

DOS

IR

Vibrations