Geometry & MOs

Info

ID:	442562
PubChem CID:	135253012
Reduced:	ON4C16H20 (1)
Stoich.:	AB4C16D20 (1)
Weight, g/mol:	411.096139
ΔH_f, kcal/mol:	15.61
Dipole, Da:	4.2
IP(EA), eV:	-8.72(-1.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-chloro-1-(2-methoxyethyl)-3-methyl-N-[4-(trifluoromethyl)phenyl]pyrrolo[2,3-b]pyridine-5-carboxamide

Drug info:

PubChemData

Smile

CC(C)N1CCN(CC1)C(=O)C2=CC3=NC=CN=C3C=C2

DOS

IR

Vibrations