Geometry & MOs

Info

ID:	223447
PubChem CID:	85335056
Reduced:	BrNO2F3H7C14 (1)
Stoich.:	ABC2D3E7F14 (1)
Weight, g/mol:	366.191657
ΔH_f, kcal/mol:	-151.59
Dipole, Da:	12.71
IP(EA), eV:	-9.01(-1.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-N-(2,3,3a,4,5,6,7,7a-octahydro-1H-indazol-5-yl)-2-N-methyl-4-N-(1,3-oxazol-4-yl)pyrido[3,4-d]pyrimidine-2,4-diamine

Drug info:

PubChemData

Smile

C1=CC2=C(C(=C1)Br)OC(=C3C=CC(=O)C(=C3)C(F)(F)F)N2

DOS

IR

Vibrations