Geometry & MOs

Info

ID:	45817
PubChem CID:	10517845
Reduced:	NOC19H35 (1)
Stoich.:	ABC19D35 (1)
Weight, g/mol:	293.071975
ΔH_f, kcal/mol:	-103.34
Dipole, Da:	4.36
IP(EA), eV:	-9.25(1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-chloro-5-(3-methylphenyl)-1-phenylpyrazole-3-carbonitrile

Drug info:

PubChemData

Smile

CCCCC[C@H]1[C@@H]2CCC[C@@H]2C[C@]1(CCC)N(CC)C=O

DOS

IR

Vibrations