Geometry & MOs

Info

ID:	306215
PubChem CID:	125002784
Reduced:	ON5C18H23 (1)
Stoich.:	AB5C18D23 (1)
Weight, g/mol:	344.196074
ΔH_f, kcal/mol:	34.02
Dipole, Da:	6.14
IP(EA), eV:	-8.94(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(4S)-4-[[5-(methylamino)pyrazin-2-yl]methyl]azepan-1-yl]-2-(4-methyl-1,2,5-oxadiazol-3-yl)ethanone

Drug info:

PubChemData

Smile

CNC(=O)C1=CC=CC(=C1)[C@H]2CN(CCN2C)CC3=CN=CN=C3

DOS

IR

Vibrations