Geometry & MOs

Info

ID:

434946

PubChem CID:

135176044

Reduced:

Cl2O3N5C35H35 (1)

Stoich.:

A2B3C5D35E35 (1)

Weight, g/mol:

531.246411

ΔHf, kcal/mol:

-25.0

Dipole, Da:

4.62

IP(EA), eV:

 -8.87(-1.06)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-(3-amino-8-azabicyclo[3.2.1]octan-8-yl)-3-[4-(4-chlorophenyl)phenyl]-2-(cyclohexylmethoxyamino)-3,3-difluoropropan-1-one

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1C2=NC3=C(O2)C(=CC(=C3)CN4CCCCC4)Cl)C5=C(C(=CC=C5)NC(=O)C6=NC=C(C=C6)CNCCO)Cl

DOS

IR

Vibrations