Geometry & MOs

Info

ID:	39376
PubChem CID:	8140516
Reduced:	SN3O3C22H31 (1)
Stoich.:	AB3C3D22E31 (1)
Weight, g/mol:	420.213696
ΔH_f, kcal/mol:	-92.67
Dipole, Da:	7.35
IP(EA), eV:	-8.84(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[2-[(dimethylamino)methyl]phenyl]methyl]-1-[5-(trifluoromethyl)pyridin-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)C)C(=O)NCC2=CC=CC=C2CN(C)C

DOS

IR

Vibrations