Geometry & MOs

Info

ID:	189676
PubChem CID:	77888144
Reduced:	ClOF3N5C26H31 (1)
Stoich.:	ABC3D5E26F31 (1)
Weight, g/mol:	289.167794
ΔH_f, kcal/mol:	-167.11
Dipole, Da:	7.1
IP(EA), eV:	-8.49(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methoxy-7,13-dimethyl-14-oxa-7-azatricyclo[7.5.2.05,15]hexadeca-1,3,5(15),9-tetraen-11-ol

Drug info:

PubChemData

Smile

C1CC(CN(C1)C(=O)CCN2CC3CN(CC3C2)C4=CC=C(C=C4)Cl)NC5=CN=CC(=C5)C(F)(F)F

DOS

IR

Vibrations