Geometry & MOs

Info

ID:	88727
PubChem CID:	49956311
Reduced:	ClNO3C21H23 (1)
Stoich.:	ABC3D21E23 (1)
Weight, g/mol:	362.152296
ΔH_f, kcal/mol:	24.15
Dipole, Da:	1.99
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.889332
Charge, e:	-1

Chem-info

IUPAC name:

N-[(3-ethoxy-4-prop-2-enoxyphenyl)methyl]-1-(4-methoxyphenyl)methanamine;chloride

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)COC2=C(C=C(C=C2)CNCC3=CC=CO3)OC.[Cl-]

DOS

IR

Vibrations