Geometry & MOs

Info

ID:

180752

PubChem CID:

76680352

Reduced:

N2O6H18C23 (1)

Stoich.:

A2B6C18D23 (1)

Weight, g/mol:

461.260232

ΔHf, kcal/mol:

-150.07

Dipole, Da:

6.5

IP(EA), eV:

 -9.38(-0.95)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-(3,4-difluorophenyl)-N-[1-(ethylamino)-3,3-dimethyl-1-oxobutan-2-yl]-7,8-dimethyl-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepine-1-carboxamide

Drug info:

PubChemData

Smile

COC1=CC2=C(CN(C2=O)CC3(CC(=O)NC3=O)C4=CC5=C(O4)C=CC(=C5)C=O)C=C1

DOS

IR

Vibrations