Geometry & MOs

Info

ID:	333332
PubChem CID:	127251884
Reduced:	O2N6C25H32 (1)
Stoich.:	A2B6C25D32 (1)
Weight, g/mol:	438.274324
ΔH_f, kcal/mol:	-33.52
Dipole, Da:	7.15
IP(EA), eV:	-8.75(-0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CNC1=NC(=NC2=C1CN(CC2)C)C3CCN(C3)C(=O)C4=CC=CC(=C4)CN5CCCC5=O

DOS

IR

Vibrations