Geometry & MOs

Info

ID:	142287
PubChem CID:	53010288
Reduced:	ON4C20H26 (1)
Stoich.:	AB4C20D26 (1)
Weight, g/mol:	434.175419
ΔH_f, kcal/mol:	-14.44
Dipole, Da:	4.68
IP(EA), eV:	-8.59(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-[5-(4-fluorophenyl)pyrimidin-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C2=CN=C(N=C2)N3CCCC(C3)C(=O)NC(C)C

DOS

IR

Vibrations