Geometry & MOs

Info

ID:	370161
PubChem CID:	127337616
Reduced:	O2N7C17H25 (1)
Stoich.:	A2B7C17D25 (1)
Weight, g/mol:	393.206385
ΔH_f, kcal/mol:	-5.93
Dipole, Da:	7.86
IP(EA), eV:	-9.34(-1.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(6-fluoro-4H-1,3-benzodioxin-8-yl)methyl]-4-(oxan-4-ylmethyl)piperazine-1-carboxamide

Drug info:

PubChemData

Smile

CC(CC1CCCO1)NC(=O)N2CCN(CC2)C3=NN4C=NN=C4C=C3

DOS

IR

Vibrations