Geometry & MOs

Info

ID:	412714
PubChem CID:	135085628
Reduced:	OC14H14 (1)
Stoich.:	AB14C14 (1)
Weight, g/mol:	224.163711
ΔH_f, kcal/mol:	0.78
Dipole, Da:	2.26
IP(EA), eV:	-8.87(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(1-octyltetrazol-5-yl)ethanone

Drug info:

PubChemData

Smile

CC1=C(C2=CC=CC=C2C=C1)C(C=C)O

DOS

IR

Vibrations