Geometry & MOs

Info

ID:	88681
PubChem CID:	49956060
Reduced:	ClNO2C19H19 (1)
Stoich.:	ABC2D19E19 (1)
Weight, g/mol:	362.071459
ΔH_f, kcal/mol:	69.91
Dipole, Da:	1.34
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.796812
Charge, e:	-1

Chem-info

IUPAC name:

1-[4-[(4-chlorophenyl)methoxy]phenyl]-N-(furan-2-ylmethyl)methanamine;chloride

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)COC2=CC=C(C=C2)CNCC3=CC=CO3.[Cl-]

DOS

IR

Vibrations