Geometry & MOs

Info

ID:	396011
PubChem CID:	135027196
Reduced:	BrNO2C14H22 (1)
Stoich.:	ABC2D14E22 (1)
Weight, g/mol:	464.198759
ΔH_f, kcal/mol:	-97.96
Dipole, Da:	4.37
IP(EA), eV:	-9.11(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5,17,25-trimethoxy-15-oxahexacyclo[14.9.3.110,14.02,7.020,28.023,27]nonacosa-1(25),2(7),3,5,10(29),11,13,16,18,20(28),23,26-dodecaene

Drug info:

PubChemData

Smile

C[C@H]1CC=C(C(=C1C(=O)N(C(C)C)C(C)C)Br)O

DOS

IR

Vibrations