Geometry & MOs

Info

ID:	43420
PubChem CID:	10321266
Reduced:	OC15H26 (2)
Stoich.:	AB15C26 (2)
Weight, g/mol:	444.087685
ΔH_f, kcal/mol:	-172.75
Dipole, Da:	2.58
IP(EA), eV:	-9.15(1.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(Z)-3-[1-(1,3-benzodioxol-5-yl)-5-phenylpyrazol-3-yl]-2-(3-chlorophenyl)prop-2-enoic acid

Drug info:

PubChemData

Smile

C[C@@H](CCC=C(C)C)[C@@H]1CC[C@]2([C@]1(CC[C@@]3([C@@H]2CC[C@@]4([C@H]3CCCO4)C(C)(C)O)C)C)C

DOS

IR

Vibrations