Geometry & MOs

Info

ID:	407443
PubChem CID:	135080108
Reduced:	BrFNH15C16 (1)
Stoich.:	ABCD15E16 (1)
Weight, g/mol:	537.251523
ΔH_f, kcal/mol:	23.8
Dipole, Da:	3.55
IP(EA), eV:	-8.96(-0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 3-[[2-[3-(2,2-dimethylpropanoyloxy)-3-phenylprop-1-ynyl]phenoxy]methyl]indole-1-carboxylate

Drug info:

PubChemData

Smile

C=CCN(CC1=CC=CC=C1)C2=C(C(=CC=C2)F)Br

DOS

IR

Vibrations