Geometry & MOs

Info

ID:	83972
PubChem CID:	49862993
Reduced:	ClFN3O4C27H31 (1)
Stoich.:	ABC3D4E27F31 (1)
Weight, g/mol:	430.238019
ΔH_f, kcal/mol:	-192.42
Dipole, Da:	5.92
IP(EA), eV:	-9.19(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-[(3,5-diethoxy-4-fluorophenyl)methyl]piperidin-4-yl]-6-(methylamino)pyridine-3-carboxamide

Drug info:

PubChemData

Smile

CC[C@H](C)[C@@H](C(=O)OC)NC(=O)N1CCC2(CC1)C(N(C2=O)C3=CC(=CC=C3)F)C4=CC=C(C=C4)Cl

DOS

IR

Vibrations