Geometry & MOs

Info

ID:	183367
PubChem CID:	77012537
Reduced:	BrON4C14H21 (1)
Stoich.:	ABC4D14E21 (1)
Weight, g/mol:	314.130967
ΔH_f, kcal/mol:	21.59
Dipole, Da:	1.99
IP(EA), eV:	-8.67(-0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-[(2-chloro-4-fluorophenyl)methyl]piperazin-1-yl]-N'-hydroxypropanimidamide

Drug info:

PubChemData

Smile

CC(C(=NO)N)N1CCN(CC1)CC2=CC=C(C=C2)Br

DOS

IR

Vibrations