Geometry & MOs

Info

ID:	378048
PubChem CID:	134224117
Reduced:	O3C6H7 (2)
Stoich.:	A3B6C7 (2)
Weight, g/mol:	433.165601
ΔH_f, kcal/mol:	-237.67
Dipole, Da:	2.08
IP(EA), eV:	-10.53(-1.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-tert-butyl-11-chloro-10-(3-methoxypropoxy)-2-oxo-7,8-dihydro-6H-pyrido[2,1-a][2]benzazepine-3-carboxylic acid

Drug info:

PubChemData

Smile

COC(C1=CC(=CC(=C1)C(=O)OC)C(=O)OC)O

DOS

IR

Vibrations