Geometry & MOs

Info

ID:	378920
PubChem CID:	134228436
Reduced:	O2N7C25H29 (1)
Stoich.:	A2B7C25D29 (1)
Weight, g/mol:	248.109568
ΔH_f, kcal/mol:	40.91
Dipole, Da:	3.85
IP(EA), eV:	-8.52(-0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-methyl-5-propylphenyl)-5-methylsulfanyltetrazole

Drug info:

PubChemData

Smile

CC#CC(=O)N1CCCC(CCC1)N2C(=C(C(=N2)C3=CN(N=C3)CC4=CC=CC=C4)C(=O)N)N

DOS

IR

Vibrations