Geometry & MOs

Info

ID:	288303
PubChem CID:	104314866
Reduced:	FBr2N2H13C14 (1)
Stoich.:	AB2C2D13E14 (1)
Weight, g/mol:	403.91135
ΔH_f, kcal/mol:	10.97
Dipole, Da:	3.04
IP(EA), eV:	-9.25(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(3-chlorophenyl)-(3,5-dibromopyridin-2-yl)methyl]ethanamine

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations