Geometry & MOs

Info

ID:	391397
PubChem CID:	135004713
Reduced:	O2N3C20H29 (1)
Stoich.:	A2B3C20D29 (1)
Weight, g/mol:	334.229666
ΔH_f, kcal/mol:	-87.7
Dipole, Da:	2.62
IP(EA), eV:	-8.85(0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-2-(3,5-ditert-butylphenyl)-2-methyl-3H-inden-1-one

Drug info:

PubChemData

Smile

CC1=CN(C(=N1)[C@@H](C(C)C)NC(=O)OC(C)(C)C)CC2=CC=CC=C2

DOS

IR

Vibrations