Geometry & MOs

Info

ID:	146448
PubChem CID:	53690816
Reduced:	N2O3C25H26 (1)
Stoich.:	A2B3C25D26 (1)
Weight, g/mol:	368.141245
ΔH_f, kcal/mol:	-55.26
Dipole, Da:	5.94
IP(EA), eV:	-8.85(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[4-[2-[4-(2-hydroxyethyl)phenyl]phenyl]but-3-en-1-ynyl]benzoic acid

Drug info:

PubChemData

Smile

CCN(CC)CC(=O)NC1=CC2=C(C=C1)C(=O)C3=C(O2)C(=CC4=CC=CC=C4)CC3

DOS

IR

Vibrations