Geometry & MOs

Info

ID:	402352
PubChem CID:	135055658
Reduced:	NO2C16H19 (1)
Stoich.:	AB2C16D19 (1)
Weight, g/mol:	484.14905
ΔH_f, kcal/mol:	-63.52
Dipole, Da:	6.5
IP(EA), eV:	-9.04(-0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-methylidene-3,10-bis-(4-methylphenyl)sulfonyl-3,10-diazatricyclo[6.3.1.01,5]dodec-5-ene

Drug info:

PubChemData

Smile

C[C@@]12CCCN1C(=O)C=C(C2)C3=CC=C(C=C3)OC

DOS

IR

Vibrations