Geometry & MOs

Info

ID:	297225
PubChem CID:	117613547
Reduced:	OF3N3C20H24 (1)
Stoich.:	AB3C3D20E24 (1)
Weight, g/mol:	380.13657
ΔH_f, kcal/mol:	-144.21
Dipole, Da:	7.89
IP(EA), eV:	-8.07(-1.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[[(2S)-2-[[(2S)-piperidin-2-yl]methoxycarbamoyl]piperidine-1-carbonyl]amino] hydrogen sulfate

Drug info:

PubChemData

Smile

CCC(CC)NCC(C)N1C2=CC(=O)C=CC2=C3C1=C(NC=C3)C(F)(F)F

DOS

IR

Vibrations