Geometry & MOs

Info

ID:	306218
PubChem CID:	125002877
Reduced:	ClNO2C17H24 (1)
Stoich.:	ABC2D17E24 (1)
Weight, g/mol:	444.227374
ΔH_f, kcal/mol:	-98.67
Dipole, Da:	3.28
IP(EA), eV:	-9.13(0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(2R)-2-methyl-2,3-dihydro-1-benzofuran-5-yl]-1-[4-[6-(pyrazin-2-ylamino)pyrazin-2-yl]piperidin-1-yl]propan-1-one

Drug info:

PubChemData

Smile

C1CN(CCC12C[C@H](OC2)CC3=CC=C(C=C3)Cl)CCO

DOS

IR

Vibrations