Geometry & MOs

Info

ID:	423996
PubChem CID:	135120961
Reduced:	OF3N6H23C26 (1)
Stoich.:	AB3C6D23E26 (1)
Weight, g/mol:	529.281234
ΔH_f, kcal/mol:	-58.13
Dipole, Da:	5.76
IP(EA), eV:	-8.68(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[4-[(3S)-1-(3-fluoropropyl)pyrrolidin-3-yl]oxyphenyl]-6-(4-trimethylsilylphenyl)-8,9-dihydro-7H-benzo[7]annulen-2-ol

Drug info:

PubChemData

Smile

CC1=CN(N=C1)CC2=CC=C(C=C2)CN3C=C(C(=N3)C(F)(F)F)C(=O)NCC4=C5C=CNC5=CC=C4

DOS

IR

Vibrations