Geometry & MOs

Info

ID:	55251
PubChem CID:	17389959
Reduced:	ClN2O2C12H13 (1)
Stoich.:	AB2C2D12E13 (1)
Weight, g/mol:	300.204907
ΔH_f, kcal/mol:	-81.29
Dipole, Da:	6.87
IP(EA), eV:	-9.09(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(3-methylpiperidin-1-yl)methyl]azepane;oxalic acid

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)Cl)NC(=O)C2CCC(=O)N2

DOS

IR

Vibrations