Geometry & MOs

Info

ID:	383916
PubChem CID:	134975961
Reduced:	ClNC10H20 (1)
Stoich.:	ABC10D20 (1)
Weight, g/mol:	244.132411
ΔH_f, kcal/mol:	-51.56
Dipole, Da:	4.98
IP(EA), eV:	-9.24(0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-methylphenyl)-2-(1-propan-2-yltetrazol-5-yl)ethanone

Drug info:

PubChemData

Smile

CC(=CCC/C(=C/C[NH3+])/C)C.[Cl-]

DOS

IR

Vibrations