Geometry & MOs

Info

ID:	52577
PubChem CID:	12015501
Reduced:	NOC32H37 (1)
Stoich.:	ABC32D37 (1)
Weight, g/mol:	451.287515
ΔH_f, kcal/mol:	14.75
Dipole, Da:	1.83
IP(EA), eV:	-8.32(0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,2S,5R)-2-[2-[2-(2,2-diphenylethenyl)-3-phenylaziridin-1-yl]propan-2-yl]-5-methylcyclohexan-1-ol

Drug info:

PubChemData

Smile

C[C@@H]1CC[C@H]([C@@H](C1)O)C(C)(C)N2CC=C(C3=CC=CC=C3C2C4=CC=CC=C4)C5=CC=CC=C5

DOS

IR

Vibrations