Geometry & MOs

Info

ID:	281747
PubChem CID:	103914303
Reduced:	ClO2N3C13H18 (1)
Stoich.:	AB2C3D13E18 (1)
Weight, g/mol:	254.126657
ΔH_f, kcal/mol:	-84.87
Dipole, Da:	7.69
IP(EA), eV:	-9.13(-0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 5-[[(1-amino-3-methyl-1-oxobutan-2-yl)amino]methyl]furan-3-carboxylate

Drug info:

PubChemData

Smile

CC(C)C(C(=O)N)NCC(=O)NC1=CC(=CC=C1)Cl

DOS

IR

Vibrations