Geometry & MOs

Info

ID:	205714
PubChem CID:	80140638
Reduced:	ClION4H10C13 (1)
Stoich.:	ABCD4E10F13 (1)
Weight, g/mol:	299.184506
ΔH_f, kcal/mol:	71.94
Dipole, Da:	5.06
IP(EA), eV:	-9.44(-1.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[[2-(dimethylamino)-2-oxoethyl]-methylcarbamoyl]amino]cycloheptane-1-carboxylic acid

Drug info:

PubChemData

Smile

COC1=NC=NC2=C1N=C(N2C3=CC=CC=C3I)CCl

DOS

IR

Vibrations