Geometry & MOs

Info

ID:	425593
PubChem CID:	135126835
Reduced:	IO5C25H35 (1)
Stoich.:	AB5C25D35 (1)
Weight, g/mol:	275.152144
ΔH_f, kcal/mol:	-199.67
Dipole, Da:	3.01
IP(EA), eV:	-8.78(-2.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 5-ethyl-2-(3-methylbut-2-enoylamino)benzoate

Drug info:

PubChemData

Smile

CC1=C(C(CCC1)(C)C)CC/C(=C/CCC2C=CC(OC2OI)C3=CC(=O)OC3O)/C

DOS

IR

Vibrations