Geometry & MOs

Info

ID:	183097
PubChem CID:	76979336
Reduced:	ON4C15H24 (1)
Stoich.:	AB4C15D24 (1)
Weight, g/mol:	291.147058
ΔH_f, kcal/mol:	13.53
Dipole, Da:	3.57
IP(EA), eV:	-8.09(0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[4-[2-(1,4-oxazepan-4-yl)ethoxy]phenyl]prop-2-enoic acid

Drug info:

PubChemData

Smile

CN(CCCN1CCCC1)C2=CC=C(C=C2)C(=NO)N

DOS

IR

Vibrations