Geometry & MOs

Info

ID:	232146
PubChem CID:	87575599
Reduced:	ClO3N6C21H27 (1)
Stoich.:	AB3C6D21E27 (1)
Weight, g/mol:	193.063997
ΔH_f, kcal/mol:	-73.98
Dipole, Da:	5.11
IP(EA), eV:	-8.77(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(1H-indol-7-ylmethylidene)propanedinitrile

Drug info:

PubChemData

Smile

CC1=CN=C(C(=C1OC)C)CN2CC(C3=C2N=C(N=C3Cl)N)CC(=O)N4CCOCC4

DOS

IR

Vibrations