Geometry & MOs

Info

ID:	205802
PubChem CID:	80159030
Reduced:	N2O3C14H20 (1)
Stoich.:	A2B3C14D20 (1)
Weight, g/mol:	236.116092
ΔH_f, kcal/mol:	-111.52
Dipole, Da:	6.28
IP(EA), eV:	-9.15(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-(1,4-oxazepan-4-ylmethyl)pyridine-3-carboxylic acid

Drug info:

PubChemData

Smile

C1CC(N(C1)CC2=NC=C(C=C2)C(=O)O)CCCO

DOS

IR

Vibrations