Geometry & MOs

Info

ID:	384368
PubChem CID:	134976861
Reduced:	LiC9H17 (1)
Stoich.:	AB9C17 (1)
Weight, g/mol:	222.092376
ΔH_f, kcal/mol:	17.12
Dipole, Da:	3.58
IP(EA), eV:	-7.93(0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(4-chlorophenyl)methyl]-4,4-dimethyl-3H-pyrazole

Drug info:

PubChemData

Smile

[Li+].CC1C[C-](C(C1C)C)C

DOS

IR

Vibrations