Geometry & MOs

Info

ID:	58322
PubChem CID:	24697804
Reduced:	BrSN2O3C12H13 (1)
Stoich.:	ABC2D3E12F13 (1)
Weight, g/mol:	296.152478
ΔH_f, kcal/mol:	-79.91
Dipole, Da:	3.17
IP(EA), eV:	-9.81(-1.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-methoxyphenyl)-2-methyl-1,2,3,4-tetrahydroquinoline-4-carboxamide

Drug info:

PubChemData

Smile

C1CC(CN(C1)S(=O)(=O)C2=CC=C(C=C2)Br)N=C=O

DOS

IR

Vibrations