Geometry & MOs

Info

ID:	388551
PubChem CID:	134989483
Reduced:	KPO2H10C13 (1)
Stoich.:	ABC2D10E13 (1)
Weight, g/mol:	239.115758
ΔH_f, kcal/mol:	-86.28
Dipole, Da:	12.91
IP(EA), eV:	-7.66(-0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-ethoxyethyl 2-methoxy-3H-azepine-3-carboxylate

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)P(C2=CC=CC=C2)C(=O)[O-].[K+]

DOS

IR

Vibrations