Geometry & MOs

Info

ID:	448266
PubChem CID:	135289748
Reduced:	ClN2H11C14 (1)
Stoich.:	AB2C11D14 (1)
Weight, g/mol:	414.141594
ΔH_f, kcal/mol:	57.02
Dipole, Da:	3.74
IP(EA), eV:	-8.92(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[2-[5-ethyl-2-(trifluoromethyl)phenyl]pyrrolo[2,3-b]pyridin-1-yl]methyl]-1H-1,2,4-triazole-5-carboxamide

Drug info:

PubChemData

Smile

CC1=CC=CC=C1C2=CC3=C(N2)N=C(C=C3)Cl

DOS

IR

Vibrations