Geometry & MOs

Info

ID:	309159
PubChem CID:	126539181
Reduced:	O3N6C11H18 (1)
Stoich.:	A3B6C11D18 (1)
Weight, g/mol:	378.243104
ΔH_f, kcal/mol:	-66.83
Dipole, Da:	3.34
IP(EA), eV:	-9.26(0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2,2-dimethyl-4-piperazin-1-yloxan-4-yl)methyl]-N-(3-fluoropyridin-2-yl)propanamide

Drug info:

PubChemData

Smile

CCC(=O)O[C@@H]1CN2C(=NCC3C2([C@@H]1O)NC(=N3)N)N

DOS

IR

Vibrations