Geometry & MOs

Info

ID:	243503
PubChem CID:	99224896
Reduced:	N3O4H21C22 (1)
Stoich.:	A3B4C21D22 (1)
Weight, g/mol:	468.179755
ΔH_f, kcal/mol:	-90.91
Dipole, Da:	6.82
IP(EA), eV:	-8.44(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[(3S)-3-(4-methoxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-2-oxoethyl] 2-(2H-indazol-3-yl)acetate

Drug info:

PubChemData

Smile

C[C@H](C(=O)C1=CC2=C(C=C1)N(CC2)C(=O)C)OC(=O)CC3=C4C=CC=CC4=NN3

DOS

IR

Vibrations