Geometry & MOs

Info

ID:	362327
PubChem CID:	127307356
Reduced:	O2N4C15H30 (1)
Stoich.:	A2B4C15D30 (1)
Weight, g/mol:	399.19582
ΔH_f, kcal/mol:	-108.97
Dipole, Da:	5.56
IP(EA), eV:	-8.7(1.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-4-benzyl-N-[(6-fluoro-4H-1,3-benzodioxin-8-yl)methyl]-2-methylpiperazine-1-carboxamide

Drug info:

PubChemData

Smile

CC(CC1CCCO1)NC(=O)NCC2CN(CCN2C)C

DOS

IR

Vibrations