Geometry & MOs

Info

ID:	345345
PubChem CID:	127269645
Reduced:	FN3O3C22H24 (1)
Stoich.:	AB3C3D22E24 (1)
Weight, g/mol:	383.16452
ΔH_f, kcal/mol:	-137.91
Dipole, Da:	3.34
IP(EA), eV:	-8.18(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3,4-dihydro-2H-chromen-6-yl)-4-(4-fluorobenzoyl)piperazine-1-carboxamide

Drug info:

PubChemData

Smile

C1CC2=C(C=CC(=C2)NC(=O)N3CCC(CC3)NC(=O)C4=CC=C(C=C4)F)OC1

DOS

IR

Vibrations