Geometry & MOs

Info

ID:	282023
PubChem CID:	103914674
Reduced:	N5C12H23 (1)
Stoich.:	A5B12C23 (1)
Weight, g/mol:	246.115047
ΔH_f, kcal/mol:	32.62
Dipole, Da:	2.67
IP(EA), eV:	-8.51(0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-ethylsulfonyl-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]propan-2-amine

Drug info:

PubChemData

Smile

CCCN1CCC(CC1)NCC2=NN(C=N2)C

DOS

IR

Vibrations