Geometry & MOs

Info

ID:	283660
PubChem CID:	103996451
Reduced:	BrINO2H11C14 (1)
Stoich.:	ABCD2E11F14 (1)
Weight, g/mol:	299.184506
ΔH_f, kcal/mol:	-20.75
Dipole, Da:	5.1
IP(EA), eV:	-9.35(-1.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[[3-(diethylamino)-3-oxopropyl]carbamoylamino]cyclopentane-1-carboxylic acid

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)CNC(=O)C2=C(C=CC(=C2)I)Br)O

DOS

IR

Vibrations