Geometry & MOs

Info

ID:	365491
PubChem CID:	127317913
Reduced:	FN3O3C19H26 (1)
Stoich.:	AB3C3D19E26 (1)
Weight, g/mol:	383.19574
ΔH_f, kcal/mol:	-158.23
Dipole, Da:	2.0
IP(EA), eV:	-8.63(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3,4-dihydro-2H-chromen-3-yl)-4-(4-ethoxypyrimidin-2-yl)piperazine-1-carboxamide

Drug info:

PubChemData

Smile

CC1CN2CCCC2CN1C(=O)NCCC3=CC(=CC4=C3OCOC4)F

DOS

IR

Vibrations