Geometry & MOs

Info

ID:	208104
PubChem CID:	80496348
Reduced:	ON5C11H13 (1)
Stoich.:	AB5C11D13 (1)
Weight, g/mol:	234.159295
ΔH_f, kcal/mol:	52.77
Dipole, Da:	2.89
IP(EA), eV:	-9.48(-0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1-ethylpyrazol-4-yl)-(2H-triazol-4-yl)methyl]propan-1-amine

Drug info:

PubChemData

Smile

CN(C1=CC=CC=C1CN)C(=O)C2=NNN=C2

DOS

IR

Vibrations