Geometry & MOs

Info

ID:	332000
PubChem CID:	127250286
Reduced:	O3N4C16H18 (1)
Stoich.:	A3B4C16D18 (1)
Weight, g/mol:	366.205576
ΔH_f, kcal/mol:	-45.39
Dipole, Da:	1.0
IP(EA), eV:	-9.49(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-cyclopentyl-1-[2-(5-pyrimidin-5-ylpyridin-2-yl)morpholin-4-yl]propan-1-one

Drug info:

PubChemData

Smile

COCC(=O)N1CCOC(C1)C2=NC=C(C=C2)C3=CN=CN=C3

DOS

IR

Vibrations