Geometry & MOs

Info

ID:	290107
PubChem CID:	104409204
Reduced:	ClFON3C15H17 (1)
Stoich.:	ABCD3E15F17 (1)
Weight, g/mol:	299.184506
ΔH_f, kcal/mol:	-59.67
Dipole, Da:	8.45
IP(EA), eV:	-8.96(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-cyclopropyl-3-[[1-(diethylamino)-1-oxopropan-2-yl]carbamoylamino]propanoic acid

Drug info:

PubChemData

Smile

CC(C(=O)N1CCCC1)N2C3=C(C=C(C=C3)F)N=C2CCl

DOS

IR

Vibrations