Geometry & MOs

Info

ID:	418207
PubChem CID:	135103871
Reduced:	N3O3C19H25 (1)
Stoich.:	A3B3C19D25 (1)
Weight, g/mol:	339.20591
ΔH_f, kcal/mol:	-91.08
Dipole, Da:	7.71
IP(EA), eV:	-9.06(-0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-[2-(2,3-dihydroindol-1-yl)ethylamino]pyrimidin-4-yl]piperidin-3-ol

Drug info:

PubChemData

Smile

CCCOC1=CC=C(C=C1)C(=O)N2C[C@H]([C@H](C2)O)CC3=NNC(=C3)C

DOS

IR

Vibrations