Geometry & MOs

Info

ID:	131816
PubChem CID:	51264514
Reduced:	F2N3O3C14H15 (1)
Stoich.:	A2B3C3D14E15 (1)
Weight, g/mol:	304.153541
ΔH_f, kcal/mol:	-147.36
Dipole, Da:	4.97
IP(EA), eV:	-9.38(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(oxolane-2-carbonyl)-N-pyridin-3-ylpiperazine-1-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=NO1)NC(=O)N(C)CC2=CC=C(C=C2)OC(F)F

DOS

IR

Vibrations