Geometry & MOs

Info

ID:	402281
PubChem CID:	135055342
Reduced:	ON2C22H24 (1)
Stoich.:	AB2C22D24 (1)
Weight, g/mol:	316.182715
ΔH_f, kcal/mol:	24.5
Dipole, Da:	6.69
IP(EA), eV:	-7.95(-0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,8S)-6-methyl-8-(2-phenylphenyl)-3-oxatricyclo[6.2.1.01,5]undec-5-ene

Drug info:

PubChemData

Smile

C[C@]12CCCN1C(=CC(=NC3=CC=CC=C3OC)C2)C4=CC=CC=C4

DOS

IR

Vibrations