Geometry & MOs

Info

ID:	285241
PubChem CID:	104098776
Reduced:	ON4C14H20 (1)
Stoich.:	AB4C14D20 (1)
Weight, g/mol:	248.174945
ΔH_f, kcal/mol:	31.12
Dipole, Da:	4.65
IP(EA), eV:	-8.92(0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1-tert-butylpyrazol-4-yl)methyl]-2-(triazol-1-yl)ethanamine

Drug info:

PubChemData

Smile

CCCOC1=CC=CC(=C1)CNCCN2C=CN=N2

DOS

IR

Vibrations