Geometry & MOs

Info

ID:	357295
PubChem CID:	127293928
Reduced:	OSN5C21H29 (1)
Stoich.:	ABC5D21E29 (1)
Weight, g/mol:	385.193632
ΔH_f, kcal/mol:	5.97
Dipole, Da:	6.2
IP(EA), eV:	-9.19(-0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[5-(1-phenylpropyl)-1,3,4-thiadiazol-2-yl]-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine-2-carboxamide

Drug info:

PubChemData

Smile

CCC(C1=CC=CC=C1)C2=NN=C(S2)NC(=O)N3CCCC(C3)N4CCCC4

DOS

IR

Vibrations