Geometry & MOs

Info

ID:	246947
PubChem CID:	103065744
Reduced:	ClNO2C14H14 (1)
Stoich.:	ABC2D14E14 (1)
Weight, g/mol:	218.037754
ΔH_f, kcal/mol:	-50.07
Dipole, Da:	4.25
IP(EA), eV:	-8.98(-1.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-chloro-1-[2-(chloromethyl)prop-2-enyl]-3,5-dimethylpyrazole

Drug info:

PubChemData

Smile

CC1=C2C(=C(C=C1)C)N(C(=O)C2=O)CC(=C)CCl

DOS

IR

Vibrations