Geometry & MOs

Info

ID:	80726
PubChem CID:	49836415
Reduced:	O3C13H16 (1)
Stoich.:	A3B13C16 (1)
Weight, g/mol:	407.202048
ΔH_f, kcal/mol:	-93.6
Dipole, Da:	1.36
IP(EA), eV:	-8.93(0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl (1S,4S)-5-[4-[(E)-3-(dimethylamino)prop-2-enoyl]-3,5-difluorophenyl]-2,5-diazabicyclo[2.2.1]heptane-2-carboxylate

Drug info:

PubChemData

Smile

C[C@H](C(=O)OC)OC1=CC=CC=C1CC=C

DOS

IR

Vibrations