Geometry & MOs

Info

ID:	88529
PubChem CID:	49955167
Reduced:	ClON2C15H18 (1)
Stoich.:	ABC2D15E18 (1)
Weight, g/mol:	276.115517
ΔH_f, kcal/mol:	33.12
Dipole, Da:	1.63
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.783604
Charge, e:	-1

Chem-info

IUPAC name:

N-[(3-methoxyphenyl)methyl]-1-(4-methylphenyl)methanamine;chloride

Drug info:

PubChemData

Smile

CC(C(C1=CC=CC=C1)O)NCC2=CC=CC=N2.[Cl-]

DOS

IR

Vibrations