Geometry & MOs

Info

ID:	419263
PubChem CID:	135107866
Reduced:	S2N5O5C29H35 (1)
Stoich.:	A2B5C5D29E35 (1)
Weight, g/mol:	290.174276
ΔH_f, kcal/mol:	-141.77
Dipole, Da:	9.39
IP(EA), eV:	-8.94(-1.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(4aS,8aS)-4a-(hydroxymethyl)-1-methyl-3,4,5,6,8,8a-hexahydro-2H-1,7-naphthyridin-7-yl]-pyrazin-2-ylmethanone

Drug info:

PubChemData

Smile

C[C@H]1C(=O)NCCCN(CCCC(=O)N[C@H](C(=O)N1C)CC2=CC=C(C=C2)OC)C(=O)C3=CSC(=N3)C4=CC=CS4

DOS

IR

Vibrations