Geometry & MOs

Info

ID:

47281

PubChem CID:

10531107

Reduced:

N2O5C35H42 (1)

Stoich.:

A2B5C35D42 (1)

Weight, g/mol:

570.320606

ΔHf, kcal/mol:

-135.19

Dipole, Da:

5.12

IP(EA), eV:

 -8.62(-0.65)

Spin(Sz, 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-cyclohexyl-9-methyl-2-oxo-3H-1,4-benzodiazepin-3-yl]carbamate

Drug info:

PubChemData

Smile

CC1=C(CC2C(C1(C)C)C3CCOC3O2)C#C[C@H]4CN5CC[C@H]4C[C@@H]5[C@H](C6=C7C=C(C=CC7=NC=C6)OC)OC(=O)C

DOS

IR

Vibrations