Geometry & MOs

Info

ID:	294324
PubChem CID:	117453043
Reduced:	BrNO2C12H12 (1)
Stoich.:	ABC2D12E12 (1)
Weight, g/mol:	281.01637
ΔH_f, kcal/mol:	-0.11
Dipole, Da:	4.24
IP(EA), eV:	-8.95(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(2-bromo-3-methoxy-6-methylphenyl)-1H-pyrazol-3-amine

Drug info:

PubChemData

Smile

COC1=C(C(=C(C=C1)Br)C#N)OCC2CC2

DOS

IR

Vibrations