Geometry & MOs

Info

ID:	190171
PubChem CID:	77961549
Reduced:	OF3N4C24H27 (1)
Stoich.:	AB3C4D24E27 (1)
Weight, g/mol:	373.165108
ΔH_f, kcal/mol:	-129.37
Dipole, Da:	6.48
IP(EA), eV:	-8.0(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-phenyl-2-[1-(7H-pyrrolo[2,3-d]pyrimidin-4-ylamino)ethyl]-1,2-dihydropyrrolo[1,2-a][1,3,5]triazin-4-one

Drug info:

PubChemData

Smile

CCC1=C(C=C(C=C1)OC(F)(F)F)C2=CN=C(C=N2)N3CC(=C(C=C3)C)C4CCCN4C

DOS

IR

Vibrations