Geometry & MOs

Info

ID:	379302
PubChem CID:	134357548
Reduced:	BrF2N3H14C16 (1)
Stoich.:	AB2C3D14E16 (1)
Weight, g/mol:	302.190675
ΔH_f, kcal/mol:	-22.38
Dipole, Da:	3.35
IP(EA), eV:	-8.24(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1E,3E)-1-fluoro-5-methyl-4-N-[3-(methylaminomethyl)-1H-indol-6-yl]hexa-1,3-diene-1,4-diamine

Drug info:

PubChemData

Smile

CNCC1=CNC2=C1C=CC(=C2)NC3=C(C=C(C=C3F)Br)F

DOS

IR

Vibrations