Geometry & MOs

Info

ID:	261539
PubChem CID:	103239069
Reduced:	FNO2C16H16 (1)
Stoich.:	ABC2D16E16 (1)
Weight, g/mol:	242.163043
ΔH_f, kcal/mol:	-92.28
Dipole, Da:	6.07
IP(EA), eV:	-9.77(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (Z)-2-ethyl-4-[[2-oxo-2-(propylamino)ethyl]amino]but-2-enoate

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)CNCCC2=CC(=CC=C2)F)C(=O)O

DOS

IR

Vibrations