Geometry & MOs

Info

ID:	182763
PubChem CID:	76936555
Reduced:	NSO2C17H17 (1)
Stoich.:	ABC2D17E17 (1)
Weight, g/mol:	259.157229
ΔH_f, kcal/mol:	-30.76
Dipole, Da:	7.55
IP(EA), eV:	-8.61(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[4-[ethyl(2-methylprop-2-enyl)amino]-2-methylphenyl]prop-2-enoic acid

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)N2CCC3=C(C2)C=CS3)C=CC(=O)O

DOS

IR

Vibrations