Geometry & MOs

Info

ID:	183934
PubChem CID:	77090938
Reduced:	N3O3H19C20 (1)
Stoich.:	A3B3C19D20 (1)
Weight, g/mol:	309.157623
ΔH_f, kcal/mol:	-20.92
Dipole, Da:	2.51
IP(EA), eV:	-9.02(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-[[4-hydroxy-4-(hydroxymethyl)azepan-1-yl]methyl]phenoxy]acetic acid

Drug info:

PubChemData

Smile

CN(CC1=CC(=NN1)C2=CC=CC=C2)C(=O)C3=C4C(=CC=C3)OCCO4

DOS

IR

Vibrations