Geometry & MOs

Info

ID:	444464
PubChem CID:	135262529
Reduced:	NO4C7H13 (1)
Stoich.:	AB4C7D13 (1)
Weight, g/mol:	462.274324
ΔH_f, kcal/mol:	-100.71
Dipole, Da:	5.32
IP(EA), eV:	-9.92(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-6-[5-methyl-6-[1-(oxolan-3-yl)piperidin-4-yl]indazol-1-yl]-N-[(3R)-oxolan-3-yl]pyrimidin-4-amine

Drug info:

PubChemData

Smile

CC(COOC(=O)N1CCC1)O

DOS

IR

Vibrations