Geometry & MOs

Info

ID:	253476
PubChem CID:	103118676
Reduced:	ClO2N4C13H15 (1)
Stoich.:	AB2C4D13E15 (1)
Weight, g/mol:	331.04326
ΔH_f, kcal/mol:	-16.13
Dipole, Da:	3.04
IP(EA), eV:	-9.76(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(4-bromophenyl)-2-methyl-5-(1-methylpyrazol-3-yl)pyrazol-3-amine

Drug info:

PubChemData

Smile

COC(=O)C1=C(N(N=N1)CC2=CC=C(C=C2)Cl)CCN

DOS

IR

Vibrations