Geometry & MOs

Info

ID:	344173
PubChem CID:	127267349
Reduced:	O3N6C16H16 (1)
Stoich.:	A3B6C16D16 (1)
Weight, g/mol:	344.148455
ΔH_f, kcal/mol:	10.4
Dipole, Da:	6.99
IP(EA), eV:	-9.29(-1.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,4-dioxo-1-[3-oxo-3-(N,3,5-trimethylanilino)propyl]pyrimidine-5-carboxamide

Drug info:

PubChemData

Smile

CC1=NOC2=C1C=C(C=N2)NC(=O)C3=CC(=NC=N3)N4CCOCC4

DOS

IR

Vibrations