Geometry & MOs

Info

ID:	378308
PubChem CID:	134224384
Reduced:	ClO2N7C23H26 (1)
Stoich.:	AB2C7D23E26 (1)
Weight, g/mol:	469.147407
ΔH_f, kcal/mol:	13.4
Dipole, Da:	6.16
IP(EA), eV:	-8.15(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N,N-dimethyl-2-oxo-2-[2-[[2-(1H-pyrrolo[2,3-b]pyridin-5-ylamino)-5-(trifluoromethyl)pyrimidin-4-yl]amino]phenyl]acetamide

Drug info:

PubChemData

Smile

CCN(CC)C1=NC=C(C=C1)NC2=NC=C(C(=N2)NC3=CC=CC=C3C(=O)C(=O)N(C)C)Cl

DOS

IR

Vibrations