Geometry & MOs

Info

ID:	44388
PubChem CID:	10503317
Reduced:	NO3C29H31 (1)
Stoich.:	AB3C29D31 (1)
Weight, g/mol:	441.106851
ΔH_f, kcal/mol:	-70.11
Dipole, Da:	2.32
IP(EA), eV:	-9.27(-0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,7S)-3,5-bis(4-methylsulfonylphenyl)-4-azatricyclo[5.2.1.02,6]deca-2,5-diene

Drug info:

PubChemData

Smile

CCOC(=O)/C(=C/C1=C(C=CC(=C1)CC(=O)N(C)CCC2=CC=CC=C2)C3=CC=CC=C3)/C

DOS

IR

Vibrations