Geometry & MOs

Info

ID:	137424
PubChem CID:	52206967
Reduced:	N4O4H19C23 (1)
Stoich.:	A4B4C19D23 (1)
Weight, g/mol:	382.205656
ΔH_f, kcal/mol:	13.18
Dipole, Da:	9.45
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.909004
Charge, e:	0

Chem-info

IUPAC name:

(3R)-1-(3,5-dimethylbenzoyl)-N-[(1R)-1-(2-fluorophenyl)ethyl]piperidine-3-carboxamide

Drug info:

PubChemData

Smile

COC1=CC=CC=C1NC(=O)C2=C3N=C(C[C@H](N3N=C2)/C=C/C4=CC=CC=C4)C(=O)[O-]

DOS

IR

Vibrations