Geometry & MOs

Info

ID:	447223
PubChem CID:	135281305
Reduced:	ClSO3N4C22H25 (1)
Stoich.:	ABC3D4E22F25 (1)
Weight, g/mol:	236.127326
ΔH_f, kcal/mol:	-37.59
Dipole, Da:	7.98
IP(EA), eV:	-7.94(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-(2-aminopyridin-4-yl)piperidin-3-yl]carbamic acid

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1Cl)C2=CN3C=CC(=CC3=N2)N4CCN(CC4)S(=O)(=O)C5CC5)OC

DOS

IR

Vibrations