Geometry & MOs

Info

ID:	267256
PubChem CID:	103581548
Reduced:	BrClON2C13H18 (1)
Stoich.:	ABCD2E13F18 (1)
Weight, g/mol:	339.00255
ΔH_f, kcal/mol:	-47.21
Dipole, Da:	4.26
IP(EA), eV:	-9.46(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(4-bromo-3-chlorophenyl)methyl]-4,5,6,7-tetrahydro-1-benzofuran-4-amine

Drug info:

PubChemData

Smile

CC(C)NC(=O)CCNCC1=CC(=C(C=C1)Br)Cl

DOS

IR

Vibrations