Geometry & MOs

Info

ID:	179268
PubChem CID:	76459078
Reduced:	SO2N6C15H19 (1)
Stoich.:	AB2C6D15E19 (1)
Weight, g/mol:	300.158626
ΔH_f, kcal/mol:	18.88
Dipole, Da:	5.3
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.754914
Charge, e:	0

Chem-info

IUPAC name:

2-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide

Drug info:

PubChemData

Smile

CN1C(=[N+]2CCN(CC2)CC3=CSC=N3)C(C(=O)N(C1=O)C)C#N

DOS

IR

Vibrations