Geometry & MOs

Info

ID:	350075
PubChem CID:	127276948
Reduced:	NOC11H21 (1)
Stoich.:	ABC11D21 (1)
Weight, g/mol:	394.209279
ΔH_f, kcal/mol:	-69.22
Dipole, Da:	1.65
IP(EA), eV:	-8.65(2.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[[1-[[1-[4-(trifluoromethyl)phenyl]tetrazol-5-yl]methyl]pyrrolidin-2-yl]methyl]piperidine

Drug info:

PubChemData

Smile

CCC1CCCN1CC2CCCO2

DOS

IR

Vibrations