Geometry & MOs

Info

ID:	209459
PubChem CID:	80676124
Reduced:	BrNO2C16H22 (1)
Stoich.:	ABC2D16E22 (1)
Weight, g/mol:	335.05209
ΔH_f, kcal/mol:	-83.74
Dipole, Da:	4.23
IP(EA), eV:	-8.87(-0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-benzofuran-3-yl-[3-(2-bromoethyl)piperidin-1-yl]methanone

Drug info:

PubChemData

Smile

C1CC(N(C1)C(=O)CCOC2=CC=CC=C2)CCCBr

DOS

IR

Vibrations