Geometry & MOs

Info

ID:	157372
PubChem CID:	56423133
Reduced:	SO3N4C21H22 (1)
Stoich.:	AB3C4D21E22 (1)
Weight, g/mol:	383.103669
ΔH_f, kcal/mol:	-36.58
Dipole, Da:	6.93
IP(EA), eV:	-8.51(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-chloro-N-(2,3-dihydro-1,4-benzodioxin-5-ylmethyl)-3-methyl-1-phenylpyrazole-4-carboxamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C2=NNC(=S)N2CCC(=O)NCC3=C4C(=CC=C3)OCCO4

DOS

IR

Vibrations