Geometry & MOs

Info

ID:	442607
PubChem CID:	135253304
Reduced:	BrClN3H9C13 (1)
Stoich.:	ABC3D9E13 (1)
Weight, g/mol:	269.189198
ΔH_f, kcal/mol:	84.44
Dipole, Da:	2.88
IP(EA), eV:	-8.89(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-ethylbut-1-enyl)-5-methyl-2-(4-methylphenyl)pyrazol-3-amine

Drug info:

PubChemData

Smile

CC1=NN(C2=NC=CC(=C12)Cl)C3=CC=C(C=C3)Br

DOS

IR

Vibrations