Geometry & MOs

Info

ID:	31681
PubChem CID:	856013
Reduced:	ClNOSH16C18 (1)
Stoich.:	ABCDE16F18 (1)
Weight, g/mol:	342.136828
ΔH_f, kcal/mol:	-4.15
Dipole, Da:	6.07
IP(EA), eV:	-8.64(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(furan-2-ylmethyl)-2-(4-methylphenyl)quinoline-4-carboxamide

Drug info:

PubChemData

Smile

CCC1=CC=CC=C1NC(=O)C2=C(C3=C(S2)C=C(C=C3)C)Cl

DOS

IR

Vibrations