Geometry & MOs

Info

ID:	333269
PubChem CID:	127251821
Reduced:	O2N6C25H32 (1)
Stoich.:	A2B6C25D32 (1)
Weight, g/mol:	430.211724
ΔH_f, kcal/mol:	-40.12
Dipole, Da:	4.59
IP(EA), eV:	-8.83(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[3-[4-(methylamino)-6-(quinoline-8-carbonyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]pyrrolidin-1-yl]ethanone

Drug info:

PubChemData

Smile

CC(=O)N1CCC(C1)C2=NC3=C(CN(CC3)C(=O)CN4CCC5=CC=CC=C5C4)C(=N2)NC

DOS

IR

Vibrations