Geometry & MOs

Info

ID:	46102
PubChem CID:	10521592
Reduced:	NS2O6C13H17 (1)
Stoich.:	AB2C6D13E17 (1)
Weight, g/mol:	347.199762
ΔH_f, kcal/mol:	-229.3
Dipole, Da:	3.58
IP(EA), eV:	-9.26(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[6-[(benzylamino)methyl]-4-methoxypyridin-2-yl]methyl]-1-phenylmethanamine

Drug info:

PubChemData

Smile

CCOC(=O)/C=C/C1=CC=C(C=C1)N(S(=O)(=O)C)S(=O)(=O)C

DOS

IR

Vibrations