Geometry & MOs

Info

ID:	295143
PubChem CID:	117518537
Reduced:	BrO2N3C15H20 (1)
Stoich.:	AB2C3D15E20 (1)
Weight, g/mol:	353.07389
ΔH_f, kcal/mol:	-18.89
Dipole, Da:	3.66
IP(EA), eV:	-9.01(-0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(3-bromo-2,4-dimethoxy-5-propan-2-ylphenyl)-2-methylpyrazol-3-amine

Drug info:

PubChemData

Smile

CC(C)C1=C(C(=C(C=C1C2=NN(C(=C2)N)C)Br)OC)OC

DOS

IR

Vibrations