Geometry & MOs

Info

ID:	84403
PubChem CID:	49866262
Reduced:	N2O6C23H26 (1)
Stoich.:	A2B6C23D26 (1)
Weight, g/mol:	455.205636
ΔH_f, kcal/mol:	-174.45
Dipole, Da:	2.74
IP(EA), eV:	-8.58(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[5-[4-(dimethylamino)phenyl]-3-(3,4,5-trimethoxyphenyl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl] acetate

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C2=NN(C(C2)C3=CC(=C(C(=C3)OC)OC)OC)C(=O)COC(=O)C

DOS

IR

Vibrations