Geometry & MOs

Info

ID:	251398
PubChem CID:	103103700
Reduced:	BrON4C8H11 (1)
Stoich.:	ABC4D8E11 (1)
Weight, g/mol:	284.184841
ΔH_f, kcal/mol:	-13.43
Dipole, Da:	1.11
IP(EA), eV:	-9.53(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-amino-2-oxoethyl)-N-ethyl-1-(N'-hydroxycarbamimidoyl)cycloheptane-1-carboxamide

Drug info:

PubChemData

Smile

CCN(CC(=O)N)C1=CC(=NC=N1)Br

DOS

IR

Vibrations