Geometry & MOs

Info

ID:	446634
PubChem CID:	135276536
Reduced:	INOSC2H6 (1)
Stoich.:	ABCDE2F6 (1)
Weight, g/mol:	490.305624
ΔH_f, kcal/mol:	-38.97
Dipole, Da:	4.26
IP(EA), eV:	-8.86(-2.02)
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-[2-[(3R)-oxolan-3-yl]ethyl]pyrimidin-4-amine

Drug info:

PubChemData

Smile

C(CO)NSI

DOS

IR

Vibrations