Geometry & MOs

Info

ID:	427973
PubChem CID:	135165614
Reduced:	NF3C9H16 (1)
Stoich.:	AB3C9D16 (1)
Weight, g/mol:	484.293722
ΔH_f, kcal/mol:	-180.71
Dipole, Da:	2.97
IP(EA), eV:	-9.3(1.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-[2-[3-[[(7S)-3,4-dimethoxy-7-bicyclo[4.2.0]octa-1,3,5-trienyl]methyl-methylamino]propyl-methylamino]ethyl]-4,5-dimethoxyphenyl]acetaldehyde

Drug info:

PubChemData

Smile

CC(C)CN1CC(C(C1)(F)F)(C)F

DOS

IR

Vibrations