Geometry & MOs

Info

ID:	80593
PubChem CID:	49835347
Reduced:	ON11C20H21 (1)
Stoich.:	AB11C20D21 (1)
Weight, g/mol:	466.197805
ΔH_f, kcal/mol:	138.72
Dipole, Da:	8.84
IP(EA), eV:	-8.26(-1.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-[3-(4-amino-6-methyl-1,3,5-triazin-2-yl)-2-(1H-pyrazol-5-ylamino)imidazo[1,2-a]pyridin-6-yl]phenyl]cyclopropanecarboxamide

Drug info:

PubChemData

Smile

CC1=NC(=NC(=N1)N)C2=C(N=C3N2C=C(C=C3)C4=CN(N=C4)CCOC)NC5=CC=NN5

DOS

IR

Vibrations