Geometry & MOs

Info

ID:	433199
PubChem CID:	135173336
Reduced:	ClN3C9H10 (1)
Stoich.:	AB3C9D10 (1)
Weight, g/mol:	377.196408
ΔH_f, kcal/mol:	66.72
Dipole, Da:	1.77
IP(EA), eV:	-9.26(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(2R)-2-methyl-4-[5-(2,7,12-triazatricyclo[6.4.0.02,6]dodeca-1(8),6,9,11-tetraen-11-yl)pyrimidin-2-yl]piperazin-1-yl]ethanone

Drug info:

PubChemData

Smile

C1=CC(=CC=C1CCl)N=C/C=N\N

DOS

IR

Vibrations