Geometry & MOs

Info

ID:	79775
PubChem CID:	49830313
Reduced:	ClN4H17C20 (1)
Stoich.:	AB4C17D20 (1)
Weight, g/mol:	369.12013
ΔH_f, kcal/mol:	101.07
Dipole, Da:	2.83
IP(EA), eV:	-8.72(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-N-[[2-(trifluoromethyl)phenyl]methyl]pyrimidin-2-amine

Drug info:

PubChemData

Smile

CN(CC1=CC=CC=C1)C2=NC(=CC(=C2)C3=CNC4=C3C=CC=N4)Cl

DOS

IR

Vibrations