Geometry & MOs

Info

ID:	178768
PubChem CID:	76378978
Reduced:	SN5O12H31C33 (1)
Stoich.:	AB5C12D31E33 (1)
Weight, g/mol:	406.246772
ΔH_f, kcal/mol:	-318.57
Dipole, Da:	12.82
IP(EA), eV:	-9.81(-1.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[1-[2-(methoxymethoxy)piperidin-1-yl]-1-oxo-3-phenylpropan-2-yl]oxyhexanamide

Drug info:

PubChemData

Smile

CC1(C(N2C(S1)C(C2=O)NC(=O)C(C3=CC=C(C=C3)OC(=O)OCC4=CC=CC=C4)NC(=O)OCC5=CC=C(C=C5)[N+](=O)[O-])(C(=O)O)NC=O)C

DOS

IR

Vibrations