Geometry & MOs

Info

ID:	333284
PubChem CID:	127251836
Reduced:	O2N6C25H32 (1)
Stoich.:	A2B6C25D32 (1)
Weight, g/mol:	446.243024
ΔH_f, kcal/mol:	-41.19
Dipole, Da:	9.74
IP(EA), eV:	-8.68(-0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[3-[6-methyl-4-(methylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]pyrrolidin-1-yl]-2-(2-methylquinolin-4-yl)oxyethanone

Drug info:

PubChemData

Smile

CC(=O)N1CCC(C1)C2=NC3=C(CN(CC3)CC4=CC=C(C=C4)N5CCCC5=O)C(=N2)NC

DOS

IR

Vibrations