Geometry & MOs

Info

ID:	391458
PubChem CID:	135005397
Reduced:	NCl2O3H17C19 (1)
Stoich.:	AB2C3D17E19 (1)
Weight, g/mol:	324.114174
ΔH_f, kcal/mol:	-59.04
Dipole, Da:	4.74
IP(EA), eV:	-9.39(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-(4-cyanoanilino)-1H-indol-2-yl]methylidene-dimethylazanium;chloride

Drug info:

PubChemData

Smile

CCOC(=O)[C@H]1[C@@H](C(=NO1)C2=C(C=CC=C2Cl)Cl)C3=CC=C(C=C3)C

DOS

IR

Vibrations