Geometry & MOs

Info

ID:	144214
PubChem CID:	53333181
Reduced:	FN6H21C25 (1)
Stoich.:	AB6C21D25 (1)
Weight, g/mol:	365.185175
ΔH_f, kcal/mol:	123.26
Dipole, Da:	6.68
IP(EA), eV:	-8.55(-1.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(cyclohexylamino)-6-(4-ethylphenyl)-8H-pyrimido[4,5-d]pyrimidine-5,7-dione

Drug info:

PubChemData

Smile

C1CN(CCN1C2=CC=CC=C2F)C3=NC4=C(N=NN4C5=CC=CC=C53)C6=CC=CC=C6

DOS

IR

Vibrations