Geometry & MOs

Info

ID:	306988
PubChem CID:	125264573
Reduced:	O2N8C19H20 (1)
Stoich.:	A2B8C19D20 (1)
Weight, g/mol:	392.170922
ΔH_f, kcal/mol:	69.58
Dipole, Da:	6.81
IP(EA), eV:	-8.16(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S)-3-[4-[(3S)-3-methyl-2,3-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-8-yl]piperazine-1-carbonyl]-3H-1,8-naphthyridin-2-one

Drug info:

PubChemData

Smile

C[C@@H]1NN=C2N1C=CN=C2N3CCN(CC3)C(=O)[C@H]4C=C5C=CC=NC5=NC4=O

DOS

IR

Vibrations