Geometry & MOs

Info

ID:	363319
PubChem CID:	127310831
Reduced:	OSN6C16H18 (1)
Stoich.:	ABC6D16E18 (1)
Weight, g/mol:	297.15896
ΔH_f, kcal/mol:	59.79
Dipole, Da:	2.4
IP(EA), eV:	-9.05(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2-cyclopropylpyrimidin-4-yl)-[2-(1H-imidazol-2-yl)piperidin-1-yl]methanone

Drug info:

PubChemData

Smile

CN1C=C(C=N1)C2=NC=C(S2)C(=O)N3CCC(CC3)C4=NC=CN4

DOS

IR

Vibrations