Geometry & MOs

Info

ID:	88587
PubChem CID:	49955588
Reduced:	ClOSN2C15H16 (1)
Stoich.:	ABCD2E15F16 (1)
Weight, g/mol:	352.131561
ΔH_f, kcal/mol:	23.32
Dipole, Da:	3.66
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.053210
Charge, e:	-1

Chem-info

IUPAC name:

1-(2-methoxyphenyl)-N-[(3,4,5-trimethoxyphenyl)methyl]methanamine;chloride

Drug info:

PubChemData

Smile

C1CN(CCN1)C2=CC=C(C=C2)C(=O)C3=CC=CS3.[Cl-]

DOS

IR

Vibrations