Geometry & MOs

Info

ID:	364049
PubChem CID:	127313720
Reduced:	O2N3C20H23 (1)
Stoich.:	A2B3C20D23 (1)
Weight, g/mol:	334.146347
ΔH_f, kcal/mol:	-30.16
Dipole, Da:	2.76
IP(EA), eV:	-8.83(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-(6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)-2-oxoethyl]sulfanyl-1-piperidin-1-ylethanone

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)C2(CCCC2)C(=O)N3CCC4=CN=CN=C4C3

DOS

IR

Vibrations