Geometry & MOs

Info

ID:	292931
PubChem CID:	117365435
Reduced:	NO2C15H19 (1)
Stoich.:	AB2C15D19 (1)
Weight, g/mol:	245.141579
ΔH_f, kcal/mol:	-56.28
Dipole, Da:	4.41
IP(EA), eV:	-8.82(-0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-(2,6-dimethyl-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)prop-2-en-1-amine

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1C2(CC2)N=C=O)O)C(C)(C)C

DOS

IR

Vibrations