Geometry & MOs

Info

ID:	186969
PubChem CID:	77509253
Reduced:	ClO2N4C20H23 (1)
Stoich.:	AB2C4D20E23 (1)
Weight, g/mol:	554.241687
ΔH_f, kcal/mol:	-4.87
Dipole, Da:	8.23
IP(EA), eV:	-9.09(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-[3-oxo-3-(6-pentoxynaphthalen-2-yl)oxyprop-1-enyl]phenoxy]ethyl 3,5-diaminobenzoate

Drug info:

PubChemData

Smile

CCOC1=C(C=CC(=C1)CC2CC(CCN2)N3C=NC4C3=CC=NC4=O)Cl

DOS

IR

Vibrations