Geometry & MOs

Info

ID:	288331
PubChem CID:	104315070
Reduced:	FBr2N2C15H15 (1)
Stoich.:	AB2C2D15E15 (1)
Weight, g/mol:	416.00342
ΔH_f, kcal/mol:	5.95
Dipole, Da:	2.84
IP(EA), eV:	-9.28(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-(3,5-dibromopyridin-2-yl)-2-(1-ethylpyrazol-4-yl)ethyl]propan-1-amine

Drug info:

PubChemData

Smile

CCCNC(C1=CC=C(C=C1)F)C2=C(C=C(C=N2)Br)Br

DOS

IR

Vibrations