Geometry & MOs

Info

ID:	289590
PubChem CID:	104359890
Reduced:	BrN2O2C15H21 (1)
Stoich.:	AB2C2D15E21 (1)
Weight, g/mol:	287.107692
ΔH_f, kcal/mol:	-54.1
Dipole, Da:	4.7
IP(EA), eV:	-8.74(-0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(5-chloro-2,3-dihydro-1-benzofuran-7-yl)methyl]-2-ethylaniline

Drug info:

PubChemData

Smile

C1COC2=C1C=C(C=C2CNCCN3CCOCC3)Br

DOS

IR

Vibrations