Geometry & MOs

Info

ID:	346892
PubChem CID:	127271396
Reduced:	N3O4C21H27 (1)
Stoich.:	A3B4C21D27 (1)
Weight, g/mol:	337.18017
ΔH_f, kcal/mol:	-179.24
Dipole, Da:	4.38
IP(EA), eV:	-9.4(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(6-fluoro-4H-1,3-benzodioxin-8-yl)methyl]-2-(4-methylpiperazin-1-yl)propanamide

Drug info:

PubChemData

Smile

CC(CC1CCCO1)NC(=O)CN2C(=O)C3=CC=CC=C3N4C2(CCC4=O)C

DOS

IR

Vibrations