Geometry & MOs

Info

ID:	223528
PubChem CID:	85335182
Reduced:	O3N5C22H33 (1)
Stoich.:	A3B5C22D33 (1)
Weight, g/mol:	414.187875
ΔH_f, kcal/mol:	-108.85
Dipole, Da:	4.92
IP(EA), eV:	-8.92(-0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[1-[[1-(cyanomethylamino)-4-methyl-1-oxopentan-2-yl]amino]-2,2,2-trifluoroethyl]-N-methoxy-N-methylbenzamide

Drug info:

PubChemData

Smile

CCCC(CCC)N1C2C(N=C1CC)N(C(=O)N(C2=O)C)C3=C(N=C(C=C3)OC)C

DOS

IR

Vibrations