Geometry & MOs

Info

ID:	39378
PubChem CID:	8140529
Reduced:	FSN3O4C18H23 (1)
Stoich.:	ABC3D4E18F23 (1)
Weight, g/mol:	396.216141
ΔH_f, kcal/mol:	-109.55
Dipole, Da:	3.77
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.005468
Charge, e:	0

Chem-info

IUPAC name:

N-[[2-[(dimethylamino)methyl]phenyl]methyl]-1-(2-nitrophenyl)piperidine-4-carboxamide

Drug info:

PubChemData

Smile

C[NH+](C)CC1=CC=CC=C1CNC(=O)CONS(=O)(=O)C2=CC=C(C=C2)F

DOS

IR

Vibrations