Geometry & MOs

Info

ID:	187646
PubChem CID:	77603867
Reduced:	N2O4C29H34 (1)
Stoich.:	A2B4C29D34 (1)
Weight, g/mol:	485.196901
ΔH_f, kcal/mol:	-122.92
Dipole, Da:	7.33
IP(EA), eV:	-8.78(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[4-[2-[[1-hydroxy-1-(4-hydroxyphenyl)propan-2-yl]amino]ethyl]phenyl]-2-propoxybenzoic acid;hydrochloride

Drug info:

PubChemData

Smile

C1CCC(CC1)NC2=C(C=CC(=C2)C3=CC=C(C=C3)OCCNCC(C4=CC=CC=C4)O)C(=O)O

DOS

IR

Vibrations