Geometry & MOs

Info

ID:	285311
PubChem CID:	104099012
Reduced:	ON4C11H14 (1)
Stoich.:	AB4C11D14 (1)
Weight, g/mol:	220.143645
ΔH_f, kcal/mol:	65.43
Dipole, Da:	3.88
IP(EA), eV:	-9.0(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-(triazol-1-yl)ethanamine

Drug info:

PubChemData

Smile

C1=COC(=C1)/C=C/CNCCN2C=CN=N2

DOS

IR

Vibrations