Geometry & MOs

Info

ID:	223539
PubChem CID:	85335201
Reduced:	NOC8H13 (3)
Stoich.:	ABC8D13 (3)
Weight, g/mol:	418.198046
ΔH_f, kcal/mol:	-167.25
Dipole, Da:	6.85
IP(EA), eV:	-8.32(0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(cyanomethyl)-4-methyl-2-[[2,2,2-trifluoro-1-[4-(5-methylpyridin-2-yl)phenyl]ethyl]amino]pentanamide

Drug info:

PubChemData

Smile

CCCC(C(CC(C)C)C(=O)N1CCCC(C1)NC2=CC(=C(C=C2)C)OC)C(=O)N

DOS

IR

Vibrations