Geometry & MOs

Info

ID:	319285
PubChem CID:	126655537
Reduced:	O2N3C17H23 (1)
Stoich.:	A2B3C17D23 (1)
Weight, g/mol:	216.137497
ΔH_f, kcal/mol:	-16.78
Dipole, Da:	3.25
IP(EA), eV:	-8.06(-0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N'-(1-benzylpyrazol-3-yl)ethane-1,2-diamine

Drug info:

PubChemData

Smile

CO[C@@H]1CCN(C[C@@H]1OC)C2=NN(C=C2)CC3=CC=CC=C3

DOS

IR

Vibrations