Geometry & MOs

Info

ID:	54895
PubChem CID:	17389503
Reduced:	FN2O4C14H17 (1)
Stoich.:	AB2C4D14E17 (1)
Weight, g/mol:	295.141973
ΔH_f, kcal/mol:	-191.52
Dipole, Da:	4.17
IP(EA), eV:	-8.18(-1.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-methoxyphenyl)azepane;oxalic acid

Drug info:

PubChemData

Smile

CC1=C2C(=C(C=C1)F)C(=C(N2)C)CCN.C(=O)(C(=O)O)O

DOS

IR

Vibrations