Geometry & MOs

Info

ID:	294151
PubChem CID:	117428340
Reduced:	BrNOC12H16 (1)
Stoich.:	ABCD12E16 (1)
Weight, g/mol:	269.04153
ΔH_f, kcal/mol:	-9.74
Dipole, Da:	3.13
IP(EA), eV:	-8.96(-0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(7-bromo-2,3-dihydro-1-benzofuran-5-yl)butan-1-amine

Drug info:

PubChemData

Smile

CC(CC1=C(C=CC(=C1)Br)OC2CC2)N

DOS

IR

Vibrations