Geometry & MOs

Info

ID:	77373
PubChem CID:	48427038
Reduced:	OSF3N5C18H24 (1)
Stoich.:	ABC3D5E18F24 (1)
Weight, g/mol:	399.151824
ΔH_f, kcal/mol:	-136.87
Dipole, Da:	9.94
IP(EA), eV:	-9.09(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(dimethylamino)ethyl]-2-(4-nitropyrazol-1-yl)-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide

Drug info:

PubChemData

Smile

CC(C(=O)N(CCN(C)C)CC1=CC=C(C=C1)C(F)(F)F)SC2=NN=CN2C

DOS

IR

Vibrations