Geometry & MOs

Info

ID:	324281
PubChem CID:	126677309
Reduced:	N3H7C9 (2)
Stoich.:	A3B7C9 (2)
Weight, g/mol:	704.300669
ΔH_f, kcal/mol:	170.26
Dipole, Da:	3.79
IP(EA), eV:	-8.68(-1.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[6-[[chloro-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]phosphanyl]oxymethyl]-4-tritylmorpholin-2-yl]-5-methylpyrimidine-2,4-dione

Drug info:

PubChemData

Smile

C1=CC=NC(=C1)/C(=N/C(=C\2/C=CC=N2)/N3C=CC4=C3C=CN=C4)/N

DOS

IR

Vibrations