Geometry & MOs

Info

ID:	261662
PubChem CID:	103244284
Reduced:	FNO2C17H18 (1)
Stoich.:	ABC2D17E18 (1)
Weight, g/mol:	187.120843
ΔH_f, kcal/mol:	-98.13
Dipole, Da:	5.36
IP(EA), eV:	-9.4(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (E)-3-(4-methoxybutylamino)prop-2-enoate

Drug info:

PubChemData

Smile

CC(C1=CC=C(C=C1)F)NCC2=CC=C(C=C2)CC(=O)O

DOS

IR

Vibrations