Geometry & MOs

Info

ID:	188894
PubChem CID:	77780067
Reduced:	NO4C14H23 (1)
Stoich.:	AB4C14D23 (1)
Weight, g/mol:	406.177168
ΔH_f, kcal/mol:	-209.36
Dipole, Da:	10.12
IP(EA), eV:	-9.68(0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-[[2-(4-chlorophenyl)-1-cyanoethyl]amino]-4-methyl-1-oxopentan-2-yl]morpholine-4-carboxamide

Drug info:

PubChemData

Smile

CCC1CC(C(=O)O1)NC(=O)CCCCC(=O)CC

DOS

IR

Vibrations