Geometry & MOs

Info

ID:	333360
PubChem CID:	127251912
Reduced:	O2N6C25H32 (1)
Stoich.:	A2B6C25D32 (1)
Weight, g/mol:	430.211724
ΔH_f, kcal/mol:	-36.54
Dipole, Da:	4.49
IP(EA), eV:	-8.61(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(=O)N1CCC2=C(C1)N=C(N=C2NC)C3CCN(C3)C(=O)CN4CCC5=CC=CC=C5C4

DOS

IR

Vibrations