Geometry & MOs

Info

ID:	88522
PubChem CID:	49955101
Reduced:	ClNO3C21H23 (1)
Stoich.:	ABC3D21E23 (1)
Weight, g/mol:	373.087444
ΔH_f, kcal/mol:	-26.33
Dipole, Da:	3.55
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.753363
Charge, e:	-1

Chem-info

IUPAC name:

1-[3-[(2-chlorophenyl)methoxy]phenyl]-N-(pyridin-2-ylmethyl)methanamine;chloride

Drug info:

PubChemData

Smile

CC(C1=CC=C(C=C1)C2=CC=C(O2)CNCC3=CC=C(C=C3)OC)O.[Cl-]

DOS

IR

Vibrations