Geometry & MOs

Info

ID:	297536
PubChem CID:	117620217
Reduced:	SN3O3C23H25 (1)
Stoich.:	AB3C3D23E25 (1)
Weight, g/mol:	453.206385
ΔH_f, kcal/mol:	-39.73
Dipole, Da:	5.62
IP(EA), eV:	-8.56(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3,5-dimethoxyanilino)-1-[4-(4-fluorophenyl)-1-methylpyrazol-3-yl]-2-(oxan-4-yl)ethanone

Drug info:

PubChemData

Smile

COC1=CC(=CC(=C1)NC(C2=CN=CC=C2)C(=O)N3CCCC3C4=CSC=C4)OC

DOS

IR

Vibrations