Geometry & MOs

Info

ID:	437003
PubChem CID:	135213677
Reduced:	ClN3O3C23H28 (1)
Stoich.:	AB3C3D23E28 (1)
Weight, g/mol:	316.178693
ΔH_f, kcal/mol:	-90.0
Dipole, Da:	3.7
IP(EA), eV:	-8.62(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-[1-hydroxy-2-(propan-2-ylamino)butyl]-2-methyl-3-oxa-1-azatricyclo[6.3.1.04,12]dodeca-4(12),5,7,9-tetraen-11-one

Drug info:

PubChemData

Smile

CCN(C1=C(C(=CC=C1)Cl)CN(C)CC(=O)N2CCOCC2)C(=O)C3=CC=CC=C3

DOS

IR

Vibrations