Geometry & MOs

Info

ID:	49289
PubChem CID:	11532662
Reduced:	BrN3O3C22H24 (1)
Stoich.:	AB3C3D22E24 (1)
Weight, g/mol:	457.12257
ΔH_f, kcal/mol:	-51.92
Dipole, Da:	5.8
IP(EA), eV:	-8.7(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-bromo-2-N-(4-morpholin-4-ylphenyl)-4-N-(5-propan-2-yl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine

Drug info:

PubChemData

Smile

CC(C)(CN1CCN(CC1)C2=NC3=C(C=CC(=C3)Br)OC4=CC=CC=C42)C(=O)O

DOS

IR

Vibrations