Geometry & MOs

Info

ID:	288322
PubChem CID:	104314974
Reduced:	BrN2C7H8 (2)
Stoich.:	AB2C7D8 (2)
Weight, g/mol:	404.02857
ΔH_f, kcal/mol:	62.08
Dipole, Da:	5.01
IP(EA), eV:	-8.39(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(3,5-dibromopyridin-2-yl)-(4-ethylcyclohexyl)methyl]ethanamine

Drug info:

PubChemData

Smile

CCNC(CC1=C(N=CC=C1)N)C2=C(C=C(C=N2)Br)Br

DOS

IR

Vibrations