Geometry & MOs

Info

ID:	157493
PubChem CID:	56431945
Reduced:	ClNO3C21H22 (1)
Stoich.:	ABC3D21E22 (1)
Weight, g/mol:	445.095997
ΔH_f, kcal/mol:	-92.87
Dipole, Da:	4.16
IP(EA), eV:	-8.9(-0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[1-(3,4-dichlorophenyl)-3,5-dimethylpyrazol-4-yl]-N-(2,3-dihydro-1,4-benzodioxin-5-ylmethyl)acetamide

Drug info:

PubChemData

Smile

C1CCC(C1)(C2=CC(=CC=C2)Cl)C(=O)NCC3=C4C(=CC=C3)OCCO4

DOS

IR

Vibrations