Geometry & MOs

Info

ID:	295063
PubChem CID:	117513906
Reduced:	BrNO4H12C14 (1)
Stoich.:	ABC4D12E14 (1)
Weight, g/mol:	337.10413
ΔH_f, kcal/mol:	-78.31
Dipole, Da:	5.48
IP(EA), eV:	-9.84(-1.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(4-bromo-3-methoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-2-yl)piperidine

Drug info:

PubChemData

Smile

C1COCC1C2=C(C=C(C=C2)C3=CC(=NO3)C(=O)O)Br

DOS

IR

Vibrations