Geometry & MOs

Info

ID:	121066
PubChem CID:	50754591
Reduced:	OSN2H7C9 (2)
Stoich.:	ABC2D7E9 (2)
Weight, g/mol:	364.135782
ΔH_f, kcal/mol:	65.98
Dipole, Da:	3.46
IP(EA), eV:	-9.07(-1.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-methyl-3-(5-propyl-1,2,4-oxadiazol-3-yl)-N-(thiophen-2-ylmethyl)quinolin-2-amine

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C2=NOC(=N2)C3=C(N=C(S3)NC(=O)C4=CC=CS4)C

DOS

IR

Vibrations