Geometry & MOs

Info

ID:	31711
PubChem CID:	861394
Reduced:	O2N5C17H17 (1)
Stoich.:	A2B5C17D17 (1)
Weight, g/mol:	343.217224
ΔH_f, kcal/mol:	42.15
Dipole, Da:	7.01
IP(EA), eV:	-8.94(-1.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(S)-(1-cyclohexyltetrazol-5-yl)-(4-fluorophenyl)methyl]piperidine

Drug info:

PubChemData

Smile

CCC1=CC=C(C=C1)NC(=O)C2=CC(=C(C=C2)N3C=NN=N3)OC

DOS

IR

Vibrations