Geometry & MOs

Info

ID:	378038
PubChem CID:	134224106
Reduced:	NO3C12H16 (2)
Stoich.:	AB3C12D16 (2)
Weight, g/mol:	431.194402
ΔH_f, kcal/mol:	-215.35
Dipole, Da:	15.75
IP(EA), eV:	-8.84(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-tert-butyl-2-methoxy-3-(3-methoxypropoxy)-11-oxo-6,7-dihydropyrido[1,2-d][1,4]benzoxazepine-10-carboxylic acid

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations