Geometry & MOs

Info

ID:	413446
PubChem CID:	135086395
Reduced:	PO3C18H19 (1)
Stoich.:	AB3C18D19 (1)
Weight, g/mol:	239.071306
ΔH_f, kcal/mol:	-104.27
Dipole, Da:	4.01
IP(EA), eV:	-9.9(-0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-(3-chlorophenyl)-N-methoxy-N-methylbut-2-enamide

Drug info:

PubChemData

Smile

CC(=O)OCCC(=C)P(=O)(C1=CC=CC=C1)C2=CC=CC=C2

DOS

IR

Vibrations