Geometry & MOs

Info

ID:	364040
PubChem CID:	127313711
Reduced:	O2N4C19H26 (1)
Stoich.:	A2B4C19D26 (1)
Weight, g/mol:	383.175753
ΔH_f, kcal/mol:	-68.25
Dipole, Da:	3.96
IP(EA), eV:	-9.3(-0.51)
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)-N-(2-fluorophenyl)piperidine-1-carboxamide

Drug info:

PubChemData

Smile

C1CCC(C(C1)C(=O)N2CCCC2)C(=O)N3CCC4=CN=CN=C4C3

DOS

IR

Vibrations