Geometry & MOs

Info

ID:	146636
PubChem CID:	53721605
Reduced:	NO3C9H12 (2)
Stoich.:	AB3C9D12 (2)
Weight, g/mol:	232.14633
ΔH_f, kcal/mol:	-259.28
Dipole, Da:	2.84
IP(EA), eV:	-9.74(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[2,4-di(propan-2-yl)phenyl]prop-2-enoic acid

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N[C@@H](CC1=CC=C(C=C1)C(C=O)C(=O)O)C(=O)NC

DOS

IR

Vibrations