Geometry & MOs

Info

ID:	249718
PubChem CID:	103091569
Reduced:	NOC9H13 (1)
Stoich.:	ABC9D13 (1)
Weight, g/mol:	231.105942
ΔH_f, kcal/mol:	-14.07
Dipole, Da:	2.48
IP(EA), eV:	-8.54(0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-4-[5-(2-fluorophenyl)furan-2-yl]but-3-en-2-amine

Drug info:

PubChemData

Smile

CC1=CC=C(O1)/C=C/C(C)N

DOS

IR

Vibrations