Geometry & MOs

Info

ID:	184810
PubChem CID:	77211697
Reduced:	ON3C8H9 (2)
Stoich.:	AB3C8D9 (2)
Weight, g/mol:	365.185175
ΔH_f, kcal/mol:	-3.59
Dipole, Da:	4.36
IP(EA), eV:	-8.76(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-[4-(dimethylamino)phenyl]-3-methyl-5-(oxolan-3-ylamino)pyrido[4,3-d]pyrimidin-4-one

Drug info:

PubChemData

Smile

CN1C=C(C=N1)C2=NC(=C3C(=C2)N=CN(C3=O)C)NC4CCOC4

DOS

IR

Vibrations