Geometry & MOs

Info

ID:	377888
PubChem CID:	134223954
Reduced:	N2O6C23H32 (1)
Stoich.:	A2B6C23D32 (1)
Weight, g/mol:	422.16085
ΔH_f, kcal/mol:	-232.18
Dipole, Da:	12.19
IP(EA), eV:	-8.9(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[5-chloro-4-(3-methoxypropoxy)-2-[2-(propan-2-ylamino)ethyl]phenyl]-4-oxo-1H-pyridine-3-carboxylic acid

Drug info:

PubChemData

Smile

CC(C)(C)NCCC1=CC(=C(C=C1C2=CC(=O)C(=CN2)C(=O)O)OC)OCCCOC

DOS

IR

Vibrations