Geometry & MOs

Info

ID:	290149
PubChem CID:	104414918
Reduced:	N3O3C15H23 (1)
Stoich.:	A3B3C15D23 (1)
Weight, g/mol:	244.178693
ΔH_f, kcal/mol:	-136.06
Dipole, Da:	4.57
IP(EA), eV:	-9.46(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[methyl-[2-(2-methylpropylamino)-2-oxoethyl]amino]pentanoic acid

Drug info:

PubChemData

Smile

CC1=CC(=NC(=C1C(=O)O)N(C)CC(=O)NCC(C)C)C

DOS

IR

Vibrations