Geometry & MOs

Info

ID:	88532
PubChem CID:	49955174
Reduced:	NO2Cl3H21C22 (1)
Stoich.:	AB2C3D21E22 (1)
Weight, g/mol:	305.142066
ΔH_f, kcal/mol:	2.69
Dipole, Da:	4.22
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.750022
Charge, e:	-1

Chem-info

IUPAC name:

4-[[(4-methoxyphenyl)methylamino]methyl]-N,N-dimethylaniline;chloride

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)CNCC2=C(C=CC(=C2)Cl)OCC3=CC=C(C=C3)Cl.[Cl-]

DOS

IR

Vibrations