Geometry & MOs

Info

ID:	261735
PubChem CID:	103248114
Reduced:	FSN2O2C13H15 (1)
Stoich.:	ABC2D2E13F15 (1)
Weight, g/mol:	186.136828
ΔH_f, kcal/mol:	-94.12
Dipole, Da:	8.11
IP(EA), eV:	-9.01(-1.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-(2-aminoethylamino)-2-ethylbut-2-enoate

Drug info:

PubChemData

Smile

C1=CC(=C2C(=C1)SC(=C2CNCCCN)C(=O)O)F

DOS

IR

Vibrations