Geometry & MOs

Info

ID:	46221
PubChem CID:	10523347
Reduced:	ClION2H10C13 (1)
Stoich.:	ABCD2E10F13 (1)
Weight, g/mol:	372.102941
ΔH_f, kcal/mol:	44.07
Dipole, Da:	6.05
IP(EA), eV:	-8.41(-1.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-chloro-4-[1-[(2-methylphenyl)methyl]indol-5-yl]oxybenzonitrile

Drug info:

PubChemData

Smile

C[N+]1=CC=CC(=C1)C2=NC3=C(O2)C=CC(=C3)Cl.[I-]

DOS

IR

Vibrations