Geometry & MOs

Info

ID:	442597
PubChem CID:	135253196
Reduced:	OCl2N5H19C21 (1)
Stoich.:	AB2C5D19E21 (1)
Weight, g/mol:	407.151288
ΔH_f, kcal/mol:	39.51
Dipole, Da:	8.67
IP(EA), eV:	-8.75(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-chloro-1-[(1,5-dimethylpyrazol-3-yl)methyl]-3-methyl-N-(4-methylphenyl)pyrrolo[2,3-b]pyridine-5-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=NN1C)CN2C=C(C3=C(C(=CN=C32)C(=O)NC4=CC=C(C=C4)Cl)Cl)C

DOS

IR

Vibrations