Geometry & MOs

Info

ID:	423247
PubChem CID:	135119167
Reduced:	NSO3C16H21 (1)
Stoich.:	ABC3D16E21 (1)
Weight, g/mol:	247.14331
ΔH_f, kcal/mol:	-114.81
Dipole, Da:	1.93
IP(EA), eV:	-9.16(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-methyl-N-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methyl]-1-pyrazin-2-ylmethanamine

Drug info:

PubChemData

Smile

C1C[C@@H](OC1)C(=O)N2CCC3(CC2)C4=C(CCO3)SC=C4

DOS

IR

Vibrations