Geometry & MOs

Info

ID:	333400
PubChem CID:	127251952
Reduced:	ON3C12H16 (2)
Stoich.:	AB3C12D16 (2)
Weight, g/mol:	438.274324
ΔH_f, kcal/mol:	-27.32
Dipole, Da:	9.43
IP(EA), eV:	-8.75(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(3-methoxy-N-methylanilino)-1-[3-[7-methyl-4-(methylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]pyrrolidin-1-yl]propan-1-one

Drug info:

PubChemData

Smile

CNC1=NC(=NC2=C1CCN(C2)C(=O)C3=C(C=CC(=C3)N4CCCC4)OC)C5CCNC5

DOS

IR

Vibrations