Geometry & MOs

Info

ID:	378951
PubChem CID:	134228538
Reduced:	SN2H30C38 (1)
Stoich.:	AB2C30D38 (1)
Weight, g/mol:	242.153147
ΔH_f, kcal/mol:	180.97
Dipole, Da:	2.49
IP(EA), eV:	-8.12(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-cyclopropyl-1-(2-methyl-5-propan-2-ylphenyl)tetrazole

Drug info:

PubChemData

Smile

C/C=C\C1=C(C2=CC=CC=C2N1C3=CC4=C(SC5=C4C=C(C=C5)N6C(=C(C7=CC=CC=C67)C=C)/C=C\C)C=C3)C=C

DOS

IR

Vibrations