Geometry & MOs

Info

ID:	362580
PubChem CID:	127308312
Reduced:	OSN4C19H24 (1)
Stoich.:	ABC4D19E24 (1)
Weight, g/mol:	329.131031
ΔH_f, kcal/mol:	37.31
Dipole, Da:	8.24
IP(EA), eV:	-8.62(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-(thiadiazol-4-yl)phenyl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide

Drug info:

PubChemData

Smile

C1CCC(CC1)N(CC2CC2)C(=O)NC3=CC=C(C=C3)C4=CSN=N4

DOS

IR

Vibrations