Geometry & MOs

Info

ID:	289913
PubChem CID:	104386535
Reduced:	ClON5C14H20 (1)
Stoich.:	ABC5D14E20 (1)
Weight, g/mol:	301.200156
ΔH_f, kcal/mol:	15.86
Dipole, Da:	7.91
IP(EA), eV:	-8.86(-0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[tert-butyl-[[2-(diethylamino)-2-oxoethyl]carbamoyl]amino]propanoic acid

Drug info:

PubChemData

Smile

CCC1=NN(C2=C1N=C(N2CC(=O)N3CCCC3)CCl)C

DOS

IR

Vibrations