Geometry & MOs

Info

ID:	249969
PubChem CID:	103093208
Reduced:	ClFNC13H17 (1)
Stoich.:	ABCD13E17 (1)
Weight, g/mol:	281.118257
ΔH_f, kcal/mol:	-41.47
Dipole, Da:	2.83
IP(EA), eV:	-8.96(-0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-4-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-N-ethyl-3-methylbut-3-en-2-amine

Drug info:

PubChemData

Smile

CCNC(C)/C(=C/C1=C(C=C(C=C1)Cl)F)/C

DOS

IR

Vibrations