Geometry & MOs

Info

ID:	225746
PubChem CID:	87225797
Reduced:	NO5H23C27 (1)
Stoich.:	AB5C23D27 (1)
Weight, g/mol:	583.341007
ΔH_f, kcal/mol:	-104.12
Dipole, Da:	4.37
IP(EA), eV:	-8.87(-1.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(E)-2-[[(1-cyclopentylpiperidin-4-yl)amino]methyl]-3-naphthalen-1-yloxyprop-1-enyl]-N-(oxan-2-yloxy)benzamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)/C=C(\COC2=CC=CC3=CC=CC=C32)/C(=O)NCC4=CC=CO4)C(=O)O

DOS

IR

Vibrations