Geometry & MOs

Info

ID:	177445
PubChem CID:	76186229
Reduced:	O3N7C17H25 (1)
Stoich.:	A3B7C17D25 (1)
Weight, g/mol:	466.17187
ΔH_f, kcal/mol:	-63.88
Dipole, Da:	3.62
IP(EA), eV:	-9.83(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

13-bromo-3-methoxy-11-[(4-methoxyphenyl)methoxy]-8,12-dimethyltrideca-1,7,9-trien-4-ol

Drug info:

PubChemData

Smile

CC(CN1N=CN=N1)N2CNC3CC4C(CC3C2=O)OC5CCCN5C4=O

DOS

IR

Vibrations