Geometry & MOs

Info

ID:	54548
PubChem CID:	17388873
Reduced:	BrOSN2H13C17 (1)
Stoich.:	ABCD2E13F17 (1)
Weight, g/mol:	422.205301
ΔH_f, kcal/mol:	107.53
Dipole, Da:	3.41
IP(EA), eV:	-8.69(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(2-methoxyphenyl)methyl]-N-(oxolan-2-ylmethyl)piperidine-4-carboxamide;oxalic acid

Drug info:

PubChemData

Smile

C#CCOC1=C(C=C(C=C1)C2NN=C(S2)C3=CC=CC=C3)Br

DOS

IR

Vibrations