Geometry & MOs

Info

ID:	253467
PubChem CID:	103118634
Reduced:	N2O2C6H11 (2)
Stoich.:	A2B2C6D11 (2)
Weight, g/mol:	317.02761
ΔH_f, kcal/mol:	-140.37
Dipole, Da:	3.96
IP(EA), eV:	-9.49(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(4-bromophenyl)-5-(1-methylpyrazol-3-yl)-1H-pyrazol-3-amine

Drug info:

PubChemData

Smile

CC(C)OCC(CN1C(=C(N=N1)C(=O)OC)CCN)O

DOS

IR

Vibrations