Geometry & MOs

Info

ID:	279983
PubChem CID:	103846075
Reduced:	BrNOC8H10 (1)
Stoich.:	ABCD8E10 (1)
Weight, g/mol:	194.141913
ΔH_f, kcal/mol:	11.41
Dipole, Da:	1.71
IP(EA), eV:	-9.44(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-aminocyclohexyl)pent-4-ynamide

Drug info:

PubChemData

Smile

C1CC1C(C2=C(OC=C2)Br)N

DOS

IR

Vibrations