Geometry & MOs

Info

ID:	281561
PubChem CID:	103914046
Reduced:	ON2C12H26 (1)
Stoich.:	AB2C12D26 (1)
Weight, g/mol:	228.147393
ΔH_f, kcal/mol:	-91.94
Dipole, Da:	3.18
IP(EA), eV:	-9.33(0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCCCCCNC(C(C)C)C(=O)N

DOS

IR

Vibrations