Geometry & MOs

Info

ID:	145142
PubChem CID:	53469053
Reduced:	FN2O3H29C30 (1)
Stoich.:	AB2C3D29E30 (1)
Weight, g/mol:	451.161995
ΔH_f, kcal/mol:	-105.79
Dipole, Da:	6.47
IP(EA), eV:	-9.19(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[5-(4-amino-7-methylpyrrolo[2,3-d]pyrimidin-5-yl)-2,3-dihydroindol-1-yl]-2-[3-(trifluoromethyl)phenyl]ethanone

Drug info:

PubChemData

Smile

CC1CCC(CC1)NC(=O)C2=CC=CC(=C2)C3=CC4=C(C=C3)OC(=C4C(=O)NC)C5=CC=C(C=C5)F

DOS

IR

Vibrations