Geometry & MOs

Info

ID:	267391
PubChem CID:	103582088
Reduced:	ClO2C11H13 (1)
Stoich.:	AB2C11D13 (1)
Weight, g/mol:	307.06841
ΔH_f, kcal/mol:	-95.89
Dipole, Da:	3.98
IP(EA), eV:	-9.67(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-bromo-3,5-dimethyl-N-[1-(1-methylpyrazol-4-yl)ethyl]aniline

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)C(=O)OC(C)C)Cl

DOS

IR

Vibrations