Geometry & MOs

Info

ID:	51123
PubChem CID:	12013747
Reduced:	NO6C12H19 (1)
Stoich.:	AB6C12D19 (1)
Weight, g/mol:	472.215078
ΔH_f, kcal/mol:	-244.8
Dipole, Da:	2.3
IP(EA), eV:	-10.11(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(Z)-1-[5-(4-methoxyphenyl)-2,3-diphenyl-3,4-dihydropyrazol-4-yl]-2-methyl-3-phenylprop-2-en-1-one

Drug info:

PubChemData

Smile

CCOC(=O)N1[C@H]([C@H]1C(=O)OC)[C@H]2COC(O2)(C)C

DOS

IR

Vibrations