Geometry & MOs

Info

ID:	250032
PubChem CID:	103093708
Reduced:	ClFNC14H19 (1)
Stoich.:	ABCD14E19 (1)
Weight, g/mol:	277.167794
ΔH_f, kcal/mol:	-45.63
Dipole, Da:	4.68
IP(EA), eV:	-9.08(-0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-4-(7-methoxy-1,3-benzodioxol-5-yl)-3-methyl-N-propylbut-3-en-2-amine

Drug info:

PubChemData

Smile

CCCNC(C)/C(=C/C1=CC(=C(C=C1)F)Cl)/C

DOS

IR

Vibrations