Geometry & MOs

Info

ID:	218794
PubChem CID:	85089979
Reduced:	FO4N5C27H32 (1)
Stoich.:	AB4C5D27E32 (1)
Weight, g/mol:	509.21407
ΔH_f, kcal/mol:	-135.09
Dipole, Da:	5.52
IP(EA), eV:	-8.81(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

12-[3-bromo-2-[2-(dimethylamino)ethyl]-5-hydroxy-4-methoxyphenyl]-2-hydroxy-2,6,10-trimethyldodeca-3,10-dien-5-one

Drug info:

PubChemData

Smile

CC1CN(C(CN1C(=O)C2=C(N=C3C(=C2)C(=CN3C)C(=O)C(=O)N(C)C)OC)C)CC4=CC=C(C=C4)F

DOS

IR

Vibrations