Geometry & MOs

Info

ID:	396272
PubChem CID:	135027897
Reduced:	ClO2C12H19 (1)
Stoich.:	AB2C12D19 (1)
Weight, g/mol:	373.204179
ΔH_f, kcal/mol:	-122.8
Dipole, Da:	6.57
IP(EA), eV:	-9.71(0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(5E)-5-[(4S)-4-tert-butyl-1,3-oxazolidin-2-ylidene]cyclopenta-1,3-dien-1-yl]-diphenylmethanol

Drug info:

PubChemData

Smile

CC1(CC([C@@H]2CC[C@H]([C@H]1C2=O)OC)Cl)C

DOS

IR

Vibrations