Geometry & MOs

Info

ID:	442610
PubChem CID:	135253308
Reduced:	BrClN3H13C15 (1)
Stoich.:	ABC3D13E15 (1)
Weight, g/mol:	333.08406
ΔH_f, kcal/mol:	72.18
Dipole, Da:	3.52
IP(EA), eV:	-8.77(-1.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-bromophenyl)-N-(2-ethylbut-1-enyl)-5-methylpyrazol-3-amine

Drug info:

PubChemData

Smile

CCC1=CN=C2C(=C1Cl)C(=NN2C3=CC=C(C=C3)Br)C

DOS

IR

Vibrations