Geometry & MOs

Info

ID:	153062
PubChem CID:	56312187
Reduced:	FN7C24H30 (1)
Stoich.:	AB7C24D30 (1)
Weight, g/mol:	453.226371
ΔH_f, kcal/mol:	44.95
Dipole, Da:	1.93
IP(EA), eV:	-8.66(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoyl)-3-[4-[(4-methoxyphenyl)methyl]piperidin-1-yl]propanamide

Drug info:

PubChemData

Smile

CCC1=CC=CC=C1NC2=NC(=NC(=N2)N)CN3CCCN(CC3)CC4=CC=CC=C4F

DOS

IR

Vibrations