Geometry & MOs

Info

ID:	442588
PubChem CID:	135253183
Reduced:	ClO2N6H17C19 (1)
Stoich.:	AB2C6D17E19 (1)
Weight, g/mol:	400.060614
ΔH_f, kcal/mol:	41.67
Dipole, Da:	6.2
IP(EA), eV:	-8.3(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-chloro-N-(4-chlorophenyl)-3-methyl-1-(2H-triazol-4-ylmethyl)pyrrolo[2,3-b]pyridine-5-carboxamide

Drug info:

PubChemData

Smile

CC1=CN(C2=NC=C(C(=C12)Cl)C(=O)NC3=CC=C(C=C3)OC)CC4=NNN=C4

DOS

IR

Vibrations