Geometry & MOs

Info

ID:	342718
PubChem CID:	127265878
Reduced:	FOSN2C16H19 (1)
Stoich.:	ABCD2E16F19 (1)
Weight, g/mol:	337.153875
ΔH_f, kcal/mol:	-34.58
Dipole, Da:	3.83
IP(EA), eV:	-8.9(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-hydroxy-4-(2H-tetrazol-5-yl)piperidin-1-yl]-2-naphthalen-1-ylethanone

Drug info:

PubChemData

Smile

COC1=CC=CC=C1C2(CCN(CC2)CC3=CSC=N3)F

DOS

IR

Vibrations