Geometry & MOs

Info

ID:	206199
PubChem CID:	80218126
Reduced:	BrClNOC13H13 (1)
Stoich.:	ABCDE13F13 (1)
Weight, g/mol:	266.154976
ΔH_f, kcal/mol:	4.09
Dipole, Da:	3.05
IP(EA), eV:	-9.24(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(5-chloropyridin-2-yl)-2-cyclohexyl-N-ethylethanamine

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(C2=CC=C(O2)Br)NC)Cl

DOS

IR

Vibrations