Geometry & MOs

Info

ID:	178153
PubChem CID:	76286222
Reduced:	BrO3N7C25H32 (1)
Stoich.:	AB3C7D25E32 (1)
Weight, g/mol:	439.07562
ΔH_f, kcal/mol:	-42.64
Dipole, Da:	2.63
IP(EA), eV:	-7.99(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[5-bromo-2-(1H-indazol-5-ylamino)pyrimidin-4-yl]amino]-1-propan-2-ylpyridin-2-one

Drug info:

PubChemData

Smile

CC(C)N1C=CC=C(C1=O)NC2=NC(=NC=C2Br)NC3=C(C=C(C=C3)N4CCN(CC4)CCO)OC

DOS

IR

Vibrations