Geometry & MOs

Info

ID:	147215
PubChem CID:	53786869
Reduced:	NO4C8H8 (2)
Stoich.:	AB4C8D8 (2)
Weight, g/mol:	447.288577
ΔH_f, kcal/mol:	-208.69
Dipole, Da:	5.22
IP(EA), eV:	-10.49(-1.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(1-butyl-4-methoxynaphthalen-2-yl)-N-[6-(4H-pyrimidin-3-yl)hexyl]prop-2-enamide

Drug info:

PubChemData

Smile

CC(=C1[C@H](NC1=O)CC(=O)O)COC(=O)OCC2=CC=C(C=C2)[N+](=O)[O-]

DOS

IR

Vibrations