Geometry & MOs

Info

ID:	29144
PubChem CID:	831913
Reduced:	NOC15H17 (1)
Stoich.:	ABC15D17 (1)
Weight, g/mol:	241.146664
ΔH_f, kcal/mol:	18.13
Dipole, Da:	1.64
IP(EA), eV:	-8.37(0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S)-N-[(1S)-1-(furan-2-yl)ethyl]-1-phenylbut-3-en-1-amine

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)[C@H](CC=C)NC2=CC=CO2

DOS

IR

Vibrations