Geometry & MOs

Info

ID:	88694
PubChem CID:	49956112
Reduced:	ClO2N3H7C9 (1)
Stoich.:	AB2C3D7E9 (1)
Weight, g/mol:	448.09883
ΔH_f, kcal/mol:	23.29
Dipole, Da:	3.49
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.750032
Charge, e:	-2

Chem-info

IUPAC name:

N-[[1-[(2-chlorophenyl)methyl]indol-3-yl]methyl]-3-imidazol-1-ylpropan-1-amine;dichloride

Drug info:

PubChemData

Smile

C1=CC(=CN=C1)C2=NNC(=C2)C(=O)O.[Cl-]

DOS

IR

Vibrations