Geometry & MOs

Info

ID:	73881
PubChem CID:	48420891
Reduced:	FO2N4C16H21 (1)
Stoich.:	AB2C4D16E21 (1)
Weight, g/mol:	317.173942
ΔH_f, kcal/mol:	-113.47
Dipole, Da:	2.59
IP(EA), eV:	-9.35(-0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CC(CN(C1)C(=O)NCC2=CC=C(C=C2)F)N3CCNC3=O

DOS

IR

Vibrations