Geometry & MOs

Info

ID:	364127
PubChem CID:	127314300
Reduced:	FON4C17H17 (1)
Stoich.:	ABC4D17E17 (1)
Weight, g/mol:	343.161995
ΔH_f, kcal/mol:	-10.44
Dipole, Da:	5.4
IP(EA), eV:	-9.61(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxamide

Drug info:

PubChemData

Smile

C1CN(CC2=NC=NC=C21)C(=O)NC3CC3C4=CC(=CC=C4)F

DOS

IR

Vibrations