Geometry & MOs

Info

ID:	182088
PubChem CID:	76839767
Reduced:	F3N3O4C30H34 (1)
Stoich.:	A3B3C4D30E34 (1)
Weight, g/mol:	253.240565
ΔH_f, kcal/mol:	-265.76
Dipole, Da:	8.8
IP(EA), eV:	-9.56(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[2,3-dimethylbutan-2-yl(methyl)amino]-4,6-dimethylhepta-3,5-dien-3-ol

Drug info:

PubChemData

Smile

C1CN(CCC1CC(=O)NCC2=CC=CC=C2)C(C3CCN(CC3)C(=O)C=CC4=CC(=C(C(=C4)F)F)F)C(=O)O

DOS

IR

Vibrations