Geometry & MOs

Info

ID:	325111
PubChem CID:	126680912
Reduced:	SN3O5C43H75 (1)
Stoich.:	AB3C5D43E75 (1)
Weight, g/mol:	250.215747
ΔH_f, kcal/mol:	-343.19
Dipole, Da:	1.35
IP(EA), eV:	-9.15(-0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-tert-butyl-2-(5-tert-butyl-2,3-dihydro-1H-pyrazol-3-yl)-1,5-dihydropyrazole

Drug info:

PubChemData

Smile

CC(C)CCCC(C)[C@H]1CCC2[C@@]1(CCC3C2CC=C4[C@@]3(CC[C@@H](C4)OC(=O)CCC(C)(C)OCC(C)(C)NC(=O)CSC[C@@H](C(=O)N)NC)C)C

DOS

IR

Vibrations