Geometry & MOs

Info

ID:	266522
PubChem CID:	103568709
Reduced:	N4C11H14 (1)
Stoich.:	A4B11C14 (1)
Weight, g/mol:	221.138894
ΔH_f, kcal/mol:	66.13
Dipole, Da:	2.59
IP(EA), eV:	-8.18(0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[1-(2-aminoethyl)triazol-4-yl]methyl]-1-methylpyrazol-3-amine

Drug info:

PubChemData

Smile

CN1C=CC(=N1)NCC2=CC(=CC=C2)N

DOS

IR

Vibrations