Geometry & MOs

Info

ID:	81505
PubChem CID:	49854800
Reduced:	ClN3O3C17H18 (1)
Stoich.:	AB3C3D17E18 (1)
Weight, g/mol:	314.118591
ΔH_f, kcal/mol:	-35.81
Dipole, Da:	6.29
IP(EA), eV:	-8.12(-1.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(6-chloro-3-methoxyindol-3-yl)methyl]-N,N-dimethylaniline

Drug info:

PubChemData

Smile

CN(C)C1=CC=C(C=C1)CC2C3=C(C=CC(=C3)[N+](=O)[O-])NC2=O.Cl

DOS

IR

Vibrations