Geometry & MOs

Info

ID:	383917
PubChem CID:	134975962
Reduced:	ON4C13H16 (1)
Stoich.:	AB4C13D16 (1)
Weight, g/mol:	230.116761
ΔH_f, kcal/mol:	35.86
Dipole, Da:	4.84
IP(EA), eV:	-9.93(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(1-ethyltetrazol-5-yl)-1-(4-methylphenyl)ethanone

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C(=O)CC2=NN=NN2C(C)C

DOS

IR

Vibrations