Geometry & MOs

Info

ID:	233282
PubChem CID:	89649780
Reduced:	BrN2O4C34H45 (1)
Stoich.:	AB2C4D34E45 (1)
Weight, g/mol:	255.125929
ΔH_f, kcal/mol:	-58.54
Dipole, Da:	0.29
IP(EA), eV:	-10.22(-2.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-amino-3-phenyl-4-propan-2-ylbenzoic acid

Drug info:

PubChemData

Smile

CCCCCCCCCCN1C(=O)C2=C3C4=CC(=C(C3=C(C1=O)C=C2)C(=O)N(C4=O)CCCCCCCCCC)Br

DOS

IR

Vibrations