Geometry & MOs

Info

ID:	411016
PubChem CID:	135083821
Reduced:	O3H10C12 (1)
Stoich.:	A3B10C12 (1)
Weight, g/mol:	181.110279
ΔH_f, kcal/mol:	-49.81
Dipole, Da:	2.86
IP(EA), eV:	-10.02(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-[prop-2-enyl(prop-2-ynyl)amino]propanoate

Drug info:

PubChemData

Smile

C=C=CC(=O)COC(=O)C1=CC=CC=C1

DOS

IR

Vibrations