Geometry & MOs

Info

ID:	28554
PubChem CID:	828338
Reduced:	ClOSN2H13C16 (1)
Stoich.:	ABCD2E13F16 (1)
Weight, g/mol:	327.137162
ΔH_f, kcal/mol:	32.44
Dipole, Da:	6.41
IP(EA), eV:	-8.61(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-[(S)-phenyl-(pyridin-2-ylamino)methyl]quinolin-8-ol

Drug info:

PubChemData

Smile

CC1=C(C(=O)N(N1)C2=CC=CC=C2)SC3=CC=C(C=C3)Cl

DOS

IR

Vibrations