Geometry & MOs

Info

ID:	248063
PubChem CID:	103078627
Reduced:	BrN4C12H15 (1)
Stoich.:	AB4C12D15 (1)
Weight, g/mol:	296.02727
ΔH_f, kcal/mol:	58.89
Dipole, Da:	5.47
IP(EA), eV:	-8.04(0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-N-(3-bromo-4-methoxyphenyl)-1-methylpyrazole-3,4-diamine

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1NC2=NN(C=C2N)C)C)Br

DOS

IR

Vibrations