Geometry & MOs

Info

ID:	440100
PubChem CID:	135230000
Reduced:	PN2C10H21 (1)
Stoich.:	AB2C10D21 (1)
Weight, g/mol:	470.179729
ΔH_f, kcal/mol:	18.47
Dipole, Da:	3.62
IP(EA), eV:	-6.72(2.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[(2-chloro-3,6-difluorophenyl)methyl]-3-[3-(piperazin-1-ylmethyl)phenyl]-7,8-dihydro-6H-pyrazino[2,3-b]pyrazine

Drug info:

PubChemData

Smile

CP(=C1CC1)(C)CN2CCNCC2

DOS

IR

Vibrations