Geometry & MOs

Info

ID:	414950
PubChem CID:	135087930
Reduced:	SN4O4C20H32 (1)
Stoich.:	AB4C4D20E32 (1)
Weight, g/mol:	344.104003
ΔH_f, kcal/mol:	-167.94
Dipole, Da:	4.79
IP(EA), eV:	-8.66(0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-chloro-N-(2-hydroxyethyl)-N-[(3-methylimidazol-4-yl)methyl]quinoline-2-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=NN1C)C(=O)N[C@@]2(CCOC3([C@H]2O)CCN(CC3)C(=O)CCSC)C

DOS

IR

Vibrations