Geometry & MOs

Info

ID:	161301
PubChem CID:	57391293
Reduced:	O2N4C29H32 (1)
Stoich.:	A2B4C29D32 (1)
Weight, g/mol:	410.211804
ΔH_f, kcal/mol:	2.22
Dipole, Da:	4.4
IP(EA), eV:	-8.76(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-(4-fluorophenoxy)-2-methyl-3-[[(3S)-1-propan-2-ylpiperidin-3-yl]methyl]pyrido[3,4-d]pyrimidin-4-one

Drug info:

PubChemData

Smile

CC1=NC2=C(C(=O)N1C[C@H]3CCCN(C3)C(C)C)N=C(C=C2)OC4=CC=C(C=C4)C5=CC=CC=C5

DOS

IR

Vibrations