Geometry & MOs

Info

ID:	329374
PubChem CID:	126735699
Reduced:	NSO2C15H21 (1)
Stoich.:	ABC2D15E21 (1)
Weight, g/mol:	222.184447
ΔH_f, kcal/mol:	-47.34
Dipole, Da:	6.84
IP(EA), eV:	-9.72(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(5-cyclobutyl-2-methyl-1,2,4-triazol-3-yl)-3-methylbutan-1-amine

Drug info:

PubChemData

Smile

CCS(=O)(=O)C1=CC=CC(=C1)C([C@H]2CC23CCC3)N

DOS

IR

Vibrations