Geometry & MOs

Info

ID:	23493
PubChem CID:	604144
Reduced:	NC6H7 (2)
Stoich.:	AB6C7 (2)
Weight, g/mol:	186.115698
ΔH_f, kcal/mol:	67.73
Dipole, Da:	2.04
IP(EA), eV:	-8.62(-0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-cyclohepta-2,4,6-trien-1-yl-3,5-dimethyl-1H-pyrazole

Drug info:

PubChemData

Smile

CC1=C(C(=NN1)C)C2C=CC=CC=C2

DOS

IR

Vibrations