Geometry & MOs

Info

ID:	31355
PubChem CID:	855614
Reduced:	N6C15H16 (1)
Stoich.:	A6B15C16 (1)
Weight, g/mol:	337.084475
ΔH_f, kcal/mol:	113.13
Dipole, Da:	2.35
IP(EA), eV:	-8.77(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R)-1-[4-(tetrazol-1-yl)phenyl]sulfonylpiperidine-3-carboxylic acid

Drug info:

PubChemData

Smile

C1CN(CCN1)C2=NC=NC3=C2C=NN3C4=CC=CC=C4

DOS

IR

Vibrations