Geometry & MOs

Info

ID:	390173
PubChem CID:	134997556
Reduced:	NO3C20H29 (1)
Stoich.:	AB3C20D29 (1)
Weight, g/mol:	407.165207
ΔH_f, kcal/mol:	-115.86
Dipole, Da:	3.36
IP(EA), eV:	-9.25(0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R)-1-[(3S)-3-(4-chlorophenyl)-4-phenyl-2-(2-phenylpropan-2-yl)oxazetidin-4-yl]ethanol

Drug info:

PubChemData

Smile

CCC1([C@]2([C@](O2)([C@]3(O1)NC(CO3)(C)C)C)C4=CC=C(C=C4)C)CC

DOS

IR

Vibrations