Geometry & MOs

Info

ID:	155957
PubChem CID:	56368481
Reduced:	SO2N4H24C25 (1)
Stoich.:	AB2C4D24E25 (1)
Weight, g/mol:	419.220892
ΔH_f, kcal/mol:	20.93
Dipole, Da:	6.22
IP(EA), eV:	-8.98(-1.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-benzyl-5-(2-methylphenyl)pyrazol-3-yl]-2-(oxolan-2-ylmethoxy)propanamide

Drug info:

PubChemData

Smile

CC1=CC=CC=C1C2=NN(C(=C2)NC(=O)C3=CC=C(S3)CNC(=O)C)CC4=CC=CC=C4

DOS

IR

Vibrations