Geometry & MOs

Info

ID:	384852
PubChem CID:	134977801
Reduced:	NOC12H21 (1)
Stoich.:	ABC12D21 (1)
Weight, g/mol:	350.167065
ΔH_f, kcal/mol:	-53.34
Dipole, Da:	3.25
IP(EA), eV:	-9.55(0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,8S,14S)-1,8-diphenyl-15-oxatetracyclo[6.6.1.02,7.09,14]pentadeca-2,4,6,9-tetraene

Drug info:

PubChemData

Smile

CC(C)CC(=C=CC(=O)N)CC(C)C

DOS

IR

Vibrations