Geometry & MOs

Info

ID:	19425
PubChem CID:	563425
Reduced:	NO2C13H17 (1)
Stoich.:	AB2C13D17 (1)
Weight, g/mol:	219.125929
ΔH_f, kcal/mol:	-72.64
Dipole, Da:	4.75
IP(EA), eV:	-8.9(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 3-(benzylamino)but-2-enoate

Drug info:

PubChemData

Smile

CCOC(=O)C=C(C)NCC1=CC=CC=C1

DOS

IR

Vibrations