Geometry & MOs

Info

ID:	233644
PubChem CID:	91147360
Reduced:	NO7C36H49 (1)
Stoich.:	AB7C36D49 (1)
Weight, g/mol:	424.236208
ΔH_f, kcal/mol:	-277.74
Dipole, Da:	1.55
IP(EA), eV:	-8.49(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-[(1-butyl-2-oxo-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carbonyl)amino]phenyl] propanoate

Drug info:

PubChemData

Smile

CC(C)CC(CC=CCC(C(C)C)C(=O)N1C(COC1=O)CC2=CC=CC=C2)C(=O)C3=CC(=C(C=C3)OC)OCCCOC

DOS

IR

Vibrations