Geometry & MOs

Info

ID:	390861
PubChem CID:	135001319
Reduced:	ON4C14H18 (1)
Stoich.:	AB4C14D18 (1)
Weight, g/mol:	350.174276
ΔH_f, kcal/mol:	37.03
Dipole, Da:	6.04
IP(EA), eV:	-10.04(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-phenylmethoxy-4-(5-phenyltetrazol-1-yl)hexan-2-one

Drug info:

PubChemData

Smile

CC(C)C(CC(=O)C)N1C(=NN=N1)C2=CC=CC=C2

DOS

IR

Vibrations