Geometry & MOs

Info

ID:	342448
PubChem CID:	127265603
Reduced:	OSN3H15C17 (1)
Stoich.:	ABC3D15E17 (1)
Weight, g/mol:	269.141579
ΔH_f, kcal/mol:	48.81
Dipole, Da:	3.23
IP(EA), eV:	-8.68(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3,4-dihydro-2H-chromen-3-ylmethyl)-3-(furan-2-yl)prop-2-en-1-amine

Drug info:

PubChemData

Smile

C1CC2=C(C1)SC(=C2)C(=O)NC3=CC=CC(=C3)C4=CNN=C4

DOS

IR

Vibrations