Geometry & MOs

Info

ID:	70259
PubChem CID:	48409797
Reduced:	N4O4C21H28 (1)
Stoich.:	A4B4C21D28 (1)
Weight, g/mol:	333.151098
ΔH_f, kcal/mol:	-132.16
Dipole, Da:	6.4
IP(EA), eV:	-8.94(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[1-(2-methoxyethyl)-3,5-dimethylpyrazol-4-yl]methyl]-2-methylsulfanylbenzamide

Drug info:

PubChemData

Smile

CC1=C(C(=NN1CCOC)C)CNC(=O)C2=CC(=CC=C2)NC(=O)C3CCCO3

DOS

IR

Vibrations