Geometry & MOs

Info

ID:	386634
PubChem CID:	134982410
Reduced:	ON2H22C24 (1)
Stoich.:	AB2C22D24 (1)
Weight, g/mol:	357.209264
ΔH_f, kcal/mol:	53.96
Dipole, Da:	4.0
IP(EA), eV:	-9.47(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4R,5R)-2-[(1S,6R)-1-methyl-6-propan-2-ylcyclohexa-2,4-dien-1-yl]-4,5-diphenyl-4,5-dihydro-1,3-oxazole

Drug info:

PubChemData

Smile

CC(C)(C1=CC=CC=C1)N2[C@@H]([C@H]3C=C(C=C[C@H]3C2=O)C#N)C4=CC=CC=C4

DOS

IR

Vibrations