Geometry & MOs

Info

ID:	161550
PubChem CID:	57391962
Reduced:	SO4N6H16C18 (1)
Stoich.:	AB4C6D16E18 (1)
Weight, g/mol:	378.184447
ΔH_f, kcal/mol:	58.53
Dipole, Da:	2.13
IP(EA), eV:	-8.9(-1.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-[3-ethyl-5-(4-phenylphenyl)-1,2,4-triazol-4-yl]-1-methylindole

Drug info:

PubChemData

Smile

CCC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)N(C)/N=C/C2=C3C=C(C=CN3N=C2)C#N

DOS

IR

Vibrations