Geometry & MOs

Info

ID:	132438
PubChem CID:	51362260
Reduced:	ClO2N6H15C19 (1)
Stoich.:	AB2C6D15E19 (1)
Weight, g/mol:	442.130887
ΔH_f, kcal/mol:	58.64
Dipole, Da:	11.3
IP(EA), eV:	-9.12(-1.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-chloro-3,4-dicyano-2-imino-9-methyl-N-(4-propan-2-ylphenyl)pyrido[2,3-b]indole-1-carboxamide

Drug info:

PubChemData

Smile

CN1C2=C(C=C(C=C2)Cl)C3=C1N(C(=N)C(=C3C#N)C#N)C(=O)N4CCOCC4

DOS

IR

Vibrations