Geometry & MOs

Info

ID:	363525
PubChem CID:	127311604
Reduced:	FN3O4C16H20 (1)
Stoich.:	AB3C4D16E20 (1)
Weight, g/mol:	360.179755
ΔH_f, kcal/mol:	-187.65
Dipole, Da:	2.83
IP(EA), eV:	-9.09(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1,4-dioxan-2-ylmethyl)-4-(5-methyl-1,3-benzoxazol-2-yl)piperazine-1-carboxamide

Drug info:

PubChemData

Smile

C1CN(C(=O)C1NC(=O)NCC2COCCO2)C3=CC=CC=C3F

DOS

IR

Vibrations