Geometry & MOs

Info

ID:	364771
PubChem CID:	127316102
Reduced:	O3N6C18H26 (1)
Stoich.:	A3B6C18D26 (1)
Weight, g/mol:	369.154938
ΔH_f, kcal/mol:	-107.33
Dipole, Da:	7.39
IP(EA), eV:	-9.1(-0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[4-(1H-imidazol-2-ylmethyl)piperazine-1-carbonyl]-1-methylpyrido[2,3-d]pyrimidine-2,4-dione

Drug info:

PubChemData

Smile

C1CCC2(C1)C(=O)N(C(=O)N2)CCC(=O)N3CCN(CC3)CC4=NC=CN4

DOS

IR

Vibrations