Geometry & MOs

Info

ID:	307847
PubChem CID:	125309858
Reduced:	O4N5C12H15 (1)
Stoich.:	A4B5C12D15 (1)
Weight, g/mol:	440.120858
ΔH_f, kcal/mol:	-84.08
Dipole, Da:	5.51
IP(EA), eV:	-9.01(-1.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[4-(dimethylamino)phenyl]-4-imino-3-[3-(trifluoromethyl)phenyl]pyrimido[5,4-d]pyrimidine-2,8-dione

Drug info:

PubChemData

Smile

C[C@H]1CC=C(O1)/C=N\NC(=O)CC[C@H]2C(=O)NC(=O)N=N2

DOS

IR

Vibrations