Geometry & MOs

Info

ID:	259600
PubChem CID:	103168984
Reduced:	NC6H9 (3)
Stoich.:	AB6C9 (3)
Weight, g/mol:	236.200097
ΔH_f, kcal/mol:	36.64
Dipole, Da:	2.88
IP(EA), eV:	-8.51(-0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-cyclobutyl-N-ethyl-3-(2-ethyl-1,2,4-triazol-3-yl)propan-2-amine

Drug info:

PubChemData

Smile

CCCNC(CC1CCC1)CC2=NN(C3=CC=CC=C32)C

DOS

IR

Vibrations