Geometry & MOs

Info

ID:	48304
PubChem CID:	10538778
Reduced:	OC5H8 (3)
Stoich.:	AB5C8 (3)
Weight, g/mol:	252.162649
ΔH_f, kcal/mol:	-166.44
Dipole, Da:	6.63
IP(EA), eV:	-10.12(0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(3,3-dimethylbut-1-ynyl)-5-(2-phenylethyl)-1H-pyrazole

Drug info:

PubChemData

Smile

C[C@H]1CC[C@H]2[C@@H](C(=O)O[C@H]2[C@]3([C@@H]1CC[C@@H]3O)C)C

DOS

IR

Vibrations