Geometry & MOs

Info

ID:	425963
PubChem CID:	135133776
Reduced:	O2N5C11H17 (1)
Stoich.:	A2B5C11D17 (1)
Weight, g/mol:	505.168081
ΔH_f, kcal/mol:	-27.07
Dipole, Da:	7.51
IP(EA), eV:	-9.12(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-[2-(2-chloro-4-fluoroanilino)-5-methylpyrimidin-4-yl]-2-[(1S)-2-hydroxy-1-(3-methylphenyl)ethyl]-3,4-dihydropyrrolo[1,2-a]pyrazin-1-one

Drug info:

PubChemData

Smile

CC(C(C)(C)O)NC1=CC(=NC2=NC=NN12)OC

DOS

IR

Vibrations