Geometry & MOs

Info

ID:	200696
PubChem CID:	79429633
Reduced:	NO3H15C16 (1)
Stoich.:	AB3C15D16 (1)
Weight, g/mol:	301.123342
ΔH_f, kcal/mol:	-74.12
Dipole, Da:	4.57
IP(EA), eV:	-9.18(-0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3-chlorophenyl)-3-(5-methyl-2,3-dihydro-1-benzofuran-2-yl)propan-1-amine

Drug info:

PubChemData

Smile

C1C2=CC=CC=C2OCC1(CC3=CN=CC=C3)C(=O)O

DOS

IR

Vibrations