Geometry & MOs

Info

ID:	349859
PubChem CID:	127276251
Reduced:	N3O3C18H31 (1)
Stoich.:	A3B3C18D31 (1)
Weight, g/mol:	354.216809
ΔH_f, kcal/mol:	-152.88
Dipole, Da:	7.69
IP(EA), eV:	-9.01(1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(5-phenyltetrazol-2-yl)-1-[2-(piperidin-1-ylmethyl)pyrrolidin-1-yl]ethanone

Drug info:

PubChemData

Smile

COCCN1CC(CC1=O)C(=O)N2CCCC2CN3CCCCC3

DOS

IR

Vibrations