Geometry & MOs

Info

ID:	360433
PubChem CID:	127301078
Reduced:	O2N4C23H30 (1)
Stoich.:	A2B4C23D30 (1)
Weight, g/mol:	372.216141
ΔH_f, kcal/mol:	-49.76
Dipole, Da:	2.14
IP(EA), eV:	-9.12(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CN(N=C1)C2CCCN(C2)C(=O)C3=CC=C(C=C3)CNC(=O)C4CCCC4

DOS

IR

Vibrations