Geometry & MOs

Info

ID:	216781
PubChem CID:	85086762
Reduced:	NO2C20H23 (1)
Stoich.:	AB2C20D23 (1)
Weight, g/mol:	301.077265
ΔH_f, kcal/mol:	-60.97
Dipole, Da:	3.13
IP(EA), eV:	-8.73(-0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(cinnamylideneamino) 4-methylbenzenesulfonate

Drug info:

PubChemData

Smile

C1CNC(C2C1CC(=O)C(C2)O)CC3=CC=CC4=CC=CC=C43

DOS

IR

Vibrations