Geometry & MOs

Info

ID:	364026
PubChem CID:	127313697
Reduced:	O3N6C20H22 (1)
Stoich.:	A3B6C20D22 (1)
Weight, g/mol:	328.11471
ΔH_f, kcal/mol:	-75.44
Dipole, Da:	4.86
IP(EA), eV:	-9.82(-1.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carbonyl)-6-(trifluoromethyl)piperidin-2-one

Drug info:

PubChemData

Smile

CCN1C2=C(C(=CC(=N2)C(C)C)C(=O)N3CCC4=CN=CN=C4C3)C(=O)NC1=O

DOS

IR

Vibrations