Geometry & MOs

Info

ID:	249930
PubChem CID:	103092949
Reduced:	NO3C12H17 (1)
Stoich.:	AB3C12D17 (1)
Weight, g/mol:	215.131014
ΔH_f, kcal/mol:	-92.19
Dipole, Da:	5.6
IP(EA), eV:	-8.89(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-4-(1-benzofuran-2-yl)-N,3-dimethylbut-3-en-2-amine

Drug info:

PubChemData

Smile

CC(/C(=C/C1=CC=C(O1)C(=O)OC)/C)NC

DOS

IR

Vibrations