Geometry & MOs

Info

ID:	252701
PubChem CID:	103113419
Reduced:	O3N5C13H19 (1)
Stoich.:	A3B5C13D19 (1)
Weight, g/mol:	216.111007
ΔH_f, kcal/mol:	-28.08
Dipole, Da:	5.65
IP(EA), eV:	-10.3(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]amino]-3-oxopropanoic acid

Drug info:

PubChemData

Smile

CCCC1=C(N=NN1CC2=NOC(=N2)CCC)C(=O)OC

DOS

IR

Vibrations