Geometry & MOs

Info

ID:	377879
PubChem CID:	134223944
Reduced:	ClNO6C22H26 (1)
Stoich.:	ABC6D22E26 (1)
Weight, g/mol:	400.199822
ΔH_f, kcal/mol:	-226.44
Dipole, Da:	15.82
IP(EA), eV:	-9.41(-1.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-tert-butyl-9-(3-methoxypropoxy)-10-methyl-2-oxo-7H-pyrido[2,1-a]phthalazine-3-carboxylic acid

Drug info:

PubChemData

Smile

CC(C)(C)C1COC2=CC(=C(C=C2C3=CC(=O)C(=CN13)C(=O)O)Cl)OCCCOC

DOS

IR

Vibrations