Geometry & MOs

Info

ID:	220242
PubChem CID:	85176988
Reduced:	OC16H20 (1)
Stoich.:	AB16C20 (1)
Weight, g/mol:	229.131408
ΔH_f, kcal/mol:	-18.78
Dipole, Da:	3.67
IP(EA), eV:	-9.36(0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-[methoxy(pentanoyl)amino]but-2-enoate

Drug info:

PubChemData

Smile

C1CC(CC1CC=CC2=CC=CC=C2)CC=O

DOS

IR

Vibrations