Geometry & MOs

Info

ID:	277028
PubChem CID:	103826345
Reduced:	BrNSO2C9H14 (1)
Stoich.:	ABCD2E9F14 (1)
Weight, g/mol:	259.157229
ΔH_f, kcal/mol:	-62.82
Dipole, Da:	1.69
IP(EA), eV:	-8.82(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(1-benzofuran-3-yl)-N-[[1-(2-methoxyethyl)cyclopropyl]methyl]methanamine

Drug info:

PubChemData

Smile

C[C@@H](CO)NCC1=CC(=C(S1)OC)Br

DOS

IR

Vibrations