Geometry & MOs

Info

ID:	371373
PubChem CID:	127346030
Reduced:	NO2C16H19 (1)
Stoich.:	AB2C16D19 (1)
Weight, g/mol:	358.179361
ΔH_f, kcal/mol:	-51.51
Dipole, Da:	4.51
IP(EA), eV:	-8.64(0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[5-methyl-1-(4-methylphenyl)triazol-4-yl]-1-spiro[2H-indole-3,1'-cyclopropane]-1-ylethanone

Drug info:

PubChemData

Smile

C1COCCC1C(=O)N2CC3(CC3)C4=CC=CC=C42

DOS

IR

Vibrations