Geometry & MOs

Info

ID:	127496
PubChem CID:	51004216
Reduced:	ClNOC27H28 (1)
Stoich.:	ABCD27E28 (1)
Weight, g/mol:	432.202463
ΔH_f, kcal/mol:	15.45
Dipole, Da:	2.53
IP(EA), eV:	-8.77(-0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(1S,4R)-5-[1-(4-methoxy-2,3-dimethylphenyl)ethyl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]-[4-(trifluoromethyl)phenyl]methanone

Drug info:

PubChemData

Smile

C1C[C@@H]2CC(C[C@@H]1N2CC3=CC=CC=C3)OC(C4=CC=CC=C4)C5=CC(=CC=C5)Cl

DOS

IR

Vibrations