Geometry & MOs

Info

ID:	225759
PubChem CID:	87225945
Reduced:	N2O4C29H32 (1)
Stoich.:	A2B4C29D32 (1)
Weight, g/mol:	571.304621
ΔH_f, kcal/mol:	-108.5
Dipole, Da:	5.51
IP(EA), eV:	-8.54(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(E)-2-(naphthalen-1-yloxymethyl)-3-oxo-3-[(1-propan-2-ylpiperidin-4-yl)amino]prop-1-enyl]-N-(oxan-2-yloxy)benzamide

Drug info:

PubChemData

Smile

CCN1CCC(CC1)NC(=O)/C(=C/C2=CC(=C(C=C2)C(=O)O)C)/COC3=CC=CC4=CC=CC=C43

DOS

IR

Vibrations