Geometry & MOs

Info

ID:	364128
PubChem CID:	127314301
Reduced:	OF3N5C15H20 (1)
Stoich.:	AB3C5D15E20 (1)
Weight, g/mol:	343.237211
ΔH_f, kcal/mol:	-175.23
Dipole, Da:	4.38
IP(EA), eV:	-9.54(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CN(CCC1NC(=O)N2CCC3=CN=CN=C3C2)CC(F)(F)F

DOS

IR

Vibrations