Geometry & MOs

Info

ID:	168119
PubChem CID:	74925814
Reduced:	O3N5H17C18 (1)
Stoich.:	A3B5C17D18 (1)
Weight, g/mol:	351.133139
ΔH_f, kcal/mol:	-60.49
Dipole, Da:	2.81
IP(EA), eV:	-9.77(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-benzyl-5-pyridin-3-yl-5,6,8,8a-tetrahydro-4aH-pyrimido[4,5-d]pyrimidine-2,4,7-trione

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)CN2C3C(C(NC(=O)N3)C4=CC=CC=N4)C(=O)NC2=O

DOS

IR

Vibrations