Geometry & MOs

Info

ID:	406566
PubChem CID:	135078064
Reduced:	OS2C17H22 (1)
Stoich.:	AB2C17D22 (1)
Weight, g/mol:	257.141579
ΔH_f, kcal/mol:	1.22
Dipole, Da:	1.29
IP(EA), eV:	-8.72(-0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-phenyl-2-[prop-2-enyl(prop-2-ynyl)amino]propanoate

Drug info:

PubChemData

Smile

CCCCC#CC1(SCCS1)C2=CC=CC(=C2)COC

DOS

IR

Vibrations