Geometry & MOs

Info

ID:	410996
PubChem CID:	135083801
Reduced:	LiOC7H11 (1)
Stoich.:	ABC7D11 (1)
Weight, g/mol:	223.157229
ΔH_f, kcal/mol:	-58.62
Dipole, Da:	5.51
IP(EA), eV:	-8.72(1.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-methyl-2-[prop-2-enyl(prop-2-ynyl)amino]pentanoate

Drug info:

PubChemData

Smile

[Li+].C1CC=CC(C1)C[O-]

DOS

IR

Vibrations