Geometry & MOs

Info

ID:	244014
PubChem CID:	99309286
Reduced:	N2F3O3C25H29 (1)
Stoich.:	A2B3C3D25E29 (1)
Weight, g/mol:	408.216141
ΔH_f, kcal/mol:	-273.95
Dipole, Da:	5.26
IP(EA), eV:	-8.91(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-(cyclopropylamino)-N-[1-[2-(3-methoxyphenyl)acetyl]piperidin-4-yl]pyridine-3-carboxamide

Drug info:

PubChemData

Smile

C[C@@H](CC(=O)NC1CCN(CC1)C(=O)CC2=CC(=CC=C2)OC)C3=CC=C(C=C3)C(F)(F)F

DOS

IR

Vibrations