Geometry & MOs

Info

ID:	405372
PubChem CID:	135073700
Reduced:	BrFNOC10H11 (1)
Stoich.:	ABCDE10F11 (1)
Weight, g/mol:	314.163043
ΔH_f, kcal/mol:	-47.73
Dipole, Da:	2.97
IP(EA), eV:	-8.67(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(E)-4-[1H-indol-4-ylmethyl(prop-2-enyl)amino]but-2-enyl] methyl carbonate

Drug info:

PubChemData

Smile

COC1(CC1)NC2=C(C=C(C=C2)F)Br

DOS

IR

Vibrations