Geometry & MOs

Info

ID:	206194
PubChem CID:	80217994
Reduced:	BrNOF2H12C13 (1)
Stoich.:	ABCD2E12F13 (1)
Weight, g/mol:	285.07283
ΔH_f, kcal/mol:	-72.81
Dipole, Da:	2.45
IP(EA), eV:	-9.15(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(5-bromofuran-2-yl)-cyclohexylmethyl]ethanamine

Drug info:

PubChemData

Smile

CCNC(C1=CC=C(O1)Br)C2=C(C=CC=C2F)F

DOS

IR

Vibrations