Geometry & MOs

Info

ID:	147795
PubChem CID:	53787453
Reduced:	NC21H45 (1)
Stoich.:	AB21C45 (1)
Weight, g/mol:	325.099731
ΔH_f, kcal/mol:	-95.14
Dipole, Da:	1.61
IP(EA), eV:	-9.07(3.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[4-(2-methylphenyl)-5-sulfanylidenetetrazol-1-yl]methyl]benzamide

Drug info:

PubChemData

Smile

CCCCCC(CCCC)C(CCCCC)(CCCCC)N

DOS

IR

Vibrations