Geometry & MOs

Info

ID:	294941
PubChem CID:	117506698
Reduced:	BrNO3C14H14 (1)
Stoich.:	ABC3D14E14 (1)
Weight, g/mol:	323.08848
ΔH_f, kcal/mol:	-72.31
Dipole, Da:	3.86
IP(EA), eV:	-8.95(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(5-bromo-2,2-dimethyl-3H-1-benzofuran-7-yl)methyl]piperidine

Drug info:

PubChemData

Smile

CC1=C(C=C2C(=C1C3(CCC3)N=C=O)OCCO2)Br

DOS

IR

Vibrations