Geometry & MOs

Info

ID:	74012
PubChem CID:	48421352
Reduced:	SN3O3C18H27 (1)
Stoich.:	AB3C3D18E27 (1)
Weight, g/mol:	317.173942
ΔH_f, kcal/mol:	-125.76
Dipole, Da:	5.69
IP(EA), eV:	-9.07(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-methyl-N-(2-nitrophenyl)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-1-carboxamide

Drug info:

PubChemData

Smile

CCOC(=O)CC1=CSC(=N1)NC(=O)N2CCCC3C2C(CCC3)C

DOS

IR

Vibrations