Geometry & MOs

Info

ID:	404221
PubChem CID:	135065492
Reduced:	OF3H6C9 (2)
Stoich.:	AB3C6D9 (2)
Weight, g/mol:	335.163377
ΔH_f, kcal/mol:	-346.41
Dipole, Da:	4.84
IP(EA), eV:	-10.15(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl (E)-3-(3-methyl-1-pyrimidin-2-ylindol-2-yl)prop-2-enoate

Drug info:

PubChemData

Smile

COC(=O)/C=C(/C1=CC=CC=C1)\C2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F

DOS

IR

Vibrations