Geometry & MOs

Info

ID:	54976
PubChem CID:	17389611
Reduced:	NO5H11C12 (1)
Stoich.:	AB5C11D12 (1)
Weight, g/mol:	390.200216
ΔH_f, kcal/mol:	-185.06
Dipole, Da:	4.7
IP(EA), eV:	-9.47(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(4-methylpiperidin-1-yl)methyl]azepane;oxalic acid

Drug info:

PubChemData

Smile

C1C(CN(C1=O)C2=CC=CC(=C2)C(=O)O)C(=O)O

DOS

IR

Vibrations