Geometry & MOs

Info

ID:	440091
PubChem CID:	135229991
Reduced:	N2C13H26 (1)
Stoich.:	A2B13C26 (1)
Weight, g/mol:	550.22593
ΔH_f, kcal/mol:	-26.19
Dipole, Da:	1.47
IP(EA), eV:	-8.66(2.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-[5-[(2-chloro-6-ethenyl-3-fluorophenyl)methyl]-6,7,8,9-tetrahydropyrazino[2,3-b][1,4]diazepin-3-yl]phenyl]-[4-(2-hydroxyethyl)piperazin-1-yl]methanone

Drug info:

PubChemData

Smile

CC1CCCCCCC1C2CN(CN2)C

DOS

IR

Vibrations