Geometry & MOs

Info

ID:	88589
PubChem CID:	49955627
Reduced:	ClNO3C18H23 (1)
Stoich.:	ABC3D18E23 (1)
Weight, g/mol:	378.147698
ΔH_f, kcal/mol:	-55.83
Dipole, Da:	1.66
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.111026
Charge, e:	-2

Chem-info

IUPAC name:

1-(1-ethylpyrrolidin-2-yl)-N-[(2,3,4-trimethoxyphenyl)methyl]methanamine;dichloride

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)CNCC2=CC(=C(C=C2)OCCO)OC.[Cl-]

DOS

IR

Vibrations