Geometry & MOs

Info

ID:	250046
PubChem CID:	103093783
Reduced:	NOC19H31 (1)
Stoich.:	ABC19D31 (1)
Weight, g/mol:	355.11469
ΔH_f, kcal/mol:	-53.53
Dipole, Da:	1.97
IP(EA), eV:	-8.51(0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-4-(3-bromo-5-ethoxy-4-methoxyphenyl)-3-methyl-N-propylbut-3-en-2-amine

Drug info:

PubChemData

Smile

CCCCCOC1=CC=C(C=C1)/C=C(/C)\C(C)NCCC

DOS

IR

Vibrations