Geometry & MOs

Info

ID:	384262
PubChem CID:	134976646
Reduced:	NOH17C20 (1)
Stoich.:	ABC17D20 (1)
Weight, g/mol:	345.03644
ΔH_f, kcal/mol:	55.51
Dipole, Da:	2.59
IP(EA), eV:	-9.3(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,2S,8R)-2-[(2-bromophenyl)methyl]-3-methyl-11-oxa-3-azatricyclo[6.2.1.01,6]undeca-5,9-dien-4-one

Drug info:

PubChemData

Smile

C1C=CCC2(C(=O)C1N=C2C3=CC=CC=C3)C4=CC=CC=C4

DOS

IR

Vibrations