Geometry & MOs

Info

ID:	286168
PubChem CID:	104158127
Reduced:	BrSN2C13H15 (1)
Stoich.:	ABC2D13E15 (1)
Weight, g/mol:	269.118257
ΔH_f, kcal/mol:	41.11
Dipole, Da:	4.39
IP(EA), eV:	-8.81(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(5-chloro-2,3-dihydro-1-benzofuran-7-yl)methyl]-4-methoxybutan-2-amine

Drug info:

PubChemData

Smile

CSC1CCC(C1)NC2=C(C=C(C=C2)Br)C#N

DOS

IR

Vibrations