Geometry & MOs

Info

ID:	206192
PubChem CID:	80217992
Reduced:	BrNOC15H18 (1)
Stoich.:	ABCD15E18 (1)
Weight, g/mol:	404.92252
ΔH_f, kcal/mol:	-1.35
Dipole, Da:	2.31
IP(EA), eV:	-9.06(-0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(5-bromofuran-2-yl)-(3-iodophenyl)methyl]ethanamine

Drug info:

PubChemData

Smile

CCNC(C1=CC=C(O1)Br)C2=CC(=CC(=C2)C)C

DOS

IR

Vibrations