Geometry & MOs

Info

ID:	364766
PubChem CID:	127316097
Reduced:	OSN4C16H20 (1)
Stoich.:	ABC4D16E20 (1)
Weight, g/mol:	356.159689
ΔH_f, kcal/mol:	16.26
Dipole, Da:	3.48
IP(EA), eV:	-8.96(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[4-(1H-imidazol-2-ylmethyl)piperazine-1-carbonyl]-3,6-dimethylfuro[2,3-d]pyrimidin-4-one

Drug info:

PubChemData

Smile

C1CC2=C(C1)SC(=C2)C(=O)N3CCN(CC3)CC4=NC=CN4

DOS

IR

Vibrations