Geometry & MOs

Info

ID:	189994
PubChem CID:	77937218
Reduced:	N4O5C10H16 (1)
Stoich.:	A4B5C10D16 (1)
Weight, g/mol:	473.12017
ΔH_f, kcal/mol:	-198.06
Dipole, Da:	5.45
IP(EA), eV:	-10.14(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-[4-(4-bromophenyl)-5-morpholin-4-ylpent-3-enyl]-2-methylphenoxy]acetic acid

Drug info:

PubChemData

Smile

CC(C(CO)OCN1C=NC(=NC1=O)N)OC(=O)C

DOS

IR

Vibrations