Geometry & MOs

Info

ID:	248090
PubChem CID:	103078852
Reduced:	BrClN4C11H12 (1)
Stoich.:	ABC4D11E12 (1)
Weight, g/mol:	196.168797
ΔH_f, kcal/mol:	53.11
Dipole, Da:	4.24
IP(EA), eV:	-7.98(-0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-N-(3,3-dimethylbutan-2-yl)-1-methylpyrazole-3,4-diamine

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1Cl)NC2=NN(C=C2N)C)Br

DOS

IR

Vibrations