Geometry & MOs

Info

ID:	353750
PubChem CID:	127285327
Reduced:	N3O3C23H33 (1)
Stoich.:	A3B3C23D33 (1)
Weight, g/mol:	340.201159
ΔH_f, kcal/mol:	-130.19
Dipole, Da:	6.25
IP(EA), eV:	-9.36(0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[1-[2-(1-phenyltetrazol-5-yl)ethyl]piperidin-4-yl]pyrrolidin-2-one

Drug info:

PubChemData

Smile

C1CC(=O)N(C1)C2CCN(CC2)CC(=O)NCC3(CCOCC3)C4=CC=CC=C4

DOS

IR

Vibrations