Geometry & MOs

Info

ID:	269160
PubChem CID:	103616148
Reduced:	BrFN2C15H22 (1)
Stoich.:	ABC2D15E22 (1)
Weight, g/mol:	294.194343
ΔH_f, kcal/mol:	-35.53
Dipole, Da:	4.04
IP(EA), eV:	-8.66(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 5-[1-(1-piperidin-1-ylpropan-2-ylamino)ethyl]furan-2-carboxylate

Drug info:

PubChemData

Smile

C1CCCN(CC1)CCNCC2=C(C=C(C=C2)F)Br

DOS

IR

Vibrations