Geometry & MOs

Info

ID:	249851
PubChem CID:	103092523
Reduced:	N3C14H17 (1)
Stoich.:	A3B14C17 (1)
Weight, g/mol:	259.137242
ΔH_f, kcal/mol:	65.18
Dipole, Da:	1.62
IP(EA), eV:	-9.06(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCNC(C)/C=C/C1=NC2=CC=CC=C2N=C1

DOS

IR

Vibrations