Geometry & MOs

Info

ID:	411027
PubChem CID:	135083832
Reduced:	NO2C13H13 (1)
Stoich.:	AB2C13D13 (1)
Weight, g/mol:	247.120843
ΔH_f, kcal/mol:	-6.93
Dipole, Da:	1.57
IP(EA), eV:	-8.4(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(but-3-enoylamino) 2,4,6-trimethylbenzoate

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)N=CC2=CC=CO2)OC

DOS

IR

Vibrations