Geometry & MOs

Info

ID:	214006
PubChem CID:	81065726
Reduced:	SO2N3C12H15 (1)
Stoich.:	AB2C3D12E15 (1)
Weight, g/mol:	258.136828
ΔH_f, kcal/mol:	-53.42
Dipole, Da:	3.19
IP(EA), eV:	-8.72(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(quinolin-4-ylamino)methyl]pentanoic acid

Drug info:

PubChemData

Smile

CC1=CC2=C(N=CN=C2S1)NCC(C)CC(=O)O

DOS

IR

Vibrations