Geometry & MOs

Info

ID:	277333
PubChem CID:	103827910
Reduced:	BrOSN2H15C16 (1)
Stoich.:	ABCD2E15F16 (1)
Weight, g/mol:	335.05209
ΔH_f, kcal/mol:	35.66
Dipole, Da:	2.91
IP(EA), eV:	-8.96(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2-bromo-5-methoxyphenyl)methyl]-4,5,6,7-tetrahydro-1-benzofuran-4-amine

Drug info:

PubChemData

Smile

COC1=CC(=C(C=C1)Br)CNCC2=NC3=CC=CC=C3S2

DOS

IR

Vibrations