Geometry & MOs

Info

ID:	194360
PubChem CID:	78523639
Reduced:	FO2N4C21H23 (1)
Stoich.:	AB2C4D21E23 (1)
Weight, g/mol:	364.189926
ΔH_f, kcal/mol:	-80.98
Dipole, Da:	3.77
IP(EA), eV:	-9.39(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-methylphenyl)-6-(2-phenylethyl)-5,7,8,8a-tetrahydro-4aH-pyrimido[4,5-d]pyrimidine-2,4-dione

Drug info:

PubChemData

Smile

C1C2C(NCN1CCCC3=CC=CC=C3)N(C(=O)NC2=O)C4=CC=C(C=C4)F

DOS

IR

Vibrations