Geometry & MOs

Info

ID:	249873
PubChem CID:	103092595
Reduced:	NOC8H11 (2)
Stoich.:	ABC8D11 (2)
Weight, g/mol:	263.188529
ΔH_f, kcal/mol:	-16.68
Dipole, Da:	5.39
IP(EA), eV:	-8.56(-0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-4-(3-ethoxy-2-methoxyphenyl)-N-propylbut-3-en-2-amine

Drug info:

PubChemData

Smile

CCCNC(C)/C=C/C1=CC(=C(C=C1)OCC#N)OC

DOS

IR

Vibrations