Geometry & MOs

Info

ID:	55059
PubChem CID:	17389713
Reduced:	NO4C15H19 (1)
Stoich.:	AB4C15D19 (1)
Weight, g/mol:	309.157623
ΔH_f, kcal/mol:	-159.87
Dipole, Da:	5.0
IP(EA), eV:	-9.62(-0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-ethoxyphenyl)azepane;oxalic acid

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)C2C(CC(=O)N2CCOC)C(=O)O

DOS

IR

Vibrations