Geometry & MOs

Info

ID:	161202
PubChem CID:	57391030
Reduced:	ClO2N3C26H32 (1)
Stoich.:	AB2C3D26E32 (1)
Weight, g/mol:	433.05565
ΔH_f, kcal/mol:	-59.66
Dipole, Da:	3.7
IP(EA), eV:	-8.45(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S,3S)-N-(2-bromopyridin-4-yl)-3-(4-chlorophenyl)-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxamide

Drug info:

PubChemData

Smile

CC(=O)N1CCC2=C(CC1)C=C(C=C2)C(=O)CCCN3CCN(CC3)C4=CC=CC=C4Cl

DOS

IR

Vibrations