Geometry & MOs

Info

ID:	281553
PubChem CID:	103914038
Reduced:	OSN2C11H18 (1)
Stoich.:	ABC2D11E18 (1)
Weight, g/mol:	216.147393
ΔH_f, kcal/mol:	-36.7
Dipole, Da:	3.42
IP(EA), eV:	-9.04(-0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-[(1-amino-3-methyl-1-oxobutan-2-yl)amino]butanoate

Drug info:

PubChemData

Smile

CC(C)C(C(=O)N)NCCC1=CSC=C1

DOS

IR

Vibrations