Geometry & MOs

Info

ID:	306162
PubChem CID:	125001823
Reduced:	NOC9H12 (2)
Stoich.:	ABC9D12 (2)
Weight, g/mol:	349.142641
ΔH_f, kcal/mol:	-68.69
Dipole, Da:	1.91
IP(EA), eV:	-8.42(0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-(6-methylpyrazin-2-yl)piperidine-1-carbonyl]chromen-4-one

Drug info:

PubChemData

Smile

C1C[C@H](C2(CCN(CC2)CC3=CC4=C(C=C3)C=CN4)OC1)O

DOS

IR

Vibrations