Geometry & MOs

Info

ID:	370666
PubChem CID:	127339825
Reduced:	OSN6C17H26 (1)
Stoich.:	ABC6D17E26 (1)
Weight, g/mol:	386.231791
ΔH_f, kcal/mol:	19.58
Dipole, Da:	6.02
IP(EA), eV:	-8.72(-0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[3-[4-(1-ethylpyrazol-4-yl)piperidin-1-yl]-3-oxopropyl]-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione

Drug info:

PubChemData

Smile

CCN1C=C(C=N1)C2CCN(CC2)C(=O)CSC3=NN=CN3C(C)C

DOS

IR

Vibrations