Geometry & MOs

Info

ID:	377886
PubChem CID:	134223952
Reduced:	ClN2O5C22H27 (1)
Stoich.:	AB2C5D22E27 (1)
Weight, g/mol:	436.1765
ΔH_f, kcal/mol:	-183.12
Dipole, Da:	12.0
IP(EA), eV:	-9.56(-1.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)C1CN(C2=CC(=C(C=C2C3=CC(=O)C(=CN13)C(=O)O)Cl)OCCCOC)C

DOS

IR

Vibrations