Geometry & MOs

Info

ID:	171779
PubChem CID:	75426239
Reduced:	ON4C15H18 (1)
Stoich.:	AB4C15D18 (1)
Weight, g/mol:	241.09636
ΔH_f, kcal/mol:	19.93
Dipole, Da:	4.37
IP(EA), eV:	-9.34(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(5-methyltetrazol-1-yl)methyl]-5-phenyl-1,3-oxazole

Drug info:

PubChemData

Smile

CC(C)N(CCN1C=NC2=CC=CC=C2C1=O)CC#N

DOS

IR

Vibrations