Geometry & MOs

Info

ID:	268626
PubChem CID:	103600246
Reduced:	NO4C16H17 (1)
Stoich.:	AB4C16D17 (1)
Weight, g/mol:	219.125929
ΔH_f, kcal/mol:	-133.83
Dipole, Da:	4.93
IP(EA), eV:	-8.98(-0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-N-[2-(2-methoxyphenyl)ethyl]but-2-enamide

Drug info:

PubChemData

Smile

COC1=CC=CC=C1CCNC(=O)C2=C(C=C(C=C2)O)O

DOS

IR

Vibrations