Geometry & MOs

Info

ID:	125198
PubChem CID:	50914660
Reduced:	N2O2C11H13 (2)
Stoich.:	A2B2C11D13 (2)
Weight, g/mol:	254.13068
ΔH_f, kcal/mol:	-81.11
Dipole, Da:	3.53
IP(EA), eV:	-8.7(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(4-methylphenyl)-4-phenylbutanoic acid

Drug info:

PubChemData

Smile

CC(C)CC(C(=O)NC1=NN(C=C1)C)N2C=CC(=CC2=O)OC3=CC=CC=C3OC

DOS

IR

Vibrations