Geometry & MOs

Info

ID:	121064
PubChem CID:	50754506
Reduced:	SO2N4H20C22 (1)
Stoich.:	AB2C4D20E22 (1)
Weight, g/mol:	418.200491
ΔH_f, kcal/mol:	40.94
Dipole, Da:	3.31
IP(EA), eV:	-9.2(-1.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2,3-dimethoxyphenyl)methyl]-7-methyl-3-(5-propyl-1,2,4-oxadiazol-3-yl)quinolin-2-amine

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C2=NOC(=N2)C3=C(N=C(S3)NC(=O)CCC4=CC=CC=C4)C

DOS

IR

Vibrations