Geometry & MOs

Info

ID:	56149
PubChem CID:	17422238
Reduced:	N3O4C18H23 (1)
Stoich.:	A3B4C18D23 (1)
Weight, g/mol:	481.203528
ΔH_f, kcal/mol:	-132.99
Dipole, Da:	2.12
IP(EA), eV:	-8.78(0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2-benzylphenoxy)-N-[[1-(1,1-dioxothiolan-3-yl)-3,5-dimethylpyrazol-4-yl]methyl]-N-methylacetamide

Drug info:

PubChemData

Smile

CC1(C(=O)N(C(=O)N1)CC(=O)N(CC2=CC=C(C=C2)OC)C3CC3)C

DOS

IR

Vibrations