Geometry & MOs

Info

ID:	139464
PubChem CID:	52536013
Reduced:	ClN2O2C18H23 (1)
Stoich.:	AB2C2D18E23 (1)
Weight, g/mol:	295.193614
ΔH_f, kcal/mol:	-80.05
Dipole, Da:	4.71
IP(EA), eV:	-9.09(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-methyl-2-[[(2R)-2-phenylazetidin-1-yl]methyl]-4-propan-2-ylphenol

Drug info:

PubChemData

Smile

CC(=C[C@@H]1[C@@H](C1(C)C)C(=O)NC2=C(C=CC(=C2)Cl)C(=O)NC)C

DOS

IR

Vibrations