Geometry & MOs

Info

ID:	288234
PubChem CID:	104313858
Reduced:	BrN2C16H27 (1)
Stoich.:	AB2C16D27 (1)
Weight, g/mol:	280.02113
ΔH_f, kcal/mol:	-11.43
Dipole, Da:	1.11
IP(EA), eV:	-8.91(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(3-bromopyridin-2-yl)-(furan-3-yl)methyl]ethanamine

Drug info:

PubChemData

Smile

CCCCCCCCC(C1=C(C=CC=N1)Br)NCC

DOS

IR

Vibrations