Geometry & MOs

Info

ID:	312319
PubChem CID:	126604264
Reduced:	NO5C27H29 (1)
Stoich.:	AB5C27D29 (1)
Weight, g/mol:	546.331839
ΔH_f, kcal/mol:	-137.57
Dipole, Da:	5.71
IP(EA), eV:	-8.63(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[5-[(1-cyclohexyl-2-hydroxyethyl)amino]-7-(oxan-4-ylmethylamino)pyrazolo[1,5-a]pyrimidin-3-yl]-N-cyclopropyl-2-methylbenzamide

Drug info:

PubChemData

Smile

CC(=O)N[C@H]1CCC2=C(C(=C(C=C2C3=C1C=C(C=C3)OCC4=CC=CC=C4)OC)OC)OC

DOS

IR

Vibrations