Geometry & MOs

Info

ID:

307969

PubChem CID:

125311004

Reduced:

ClN4O4H31C32 (1)

Stoich.:

AB4C4D31E32 (1)

Weight, g/mol:

473.154663

ΔHf, kcal/mol:

-65.95

Dipole, Da:

5.73

IP(EA), eV:

 -9.2(-1.29)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

5-[[4-methoxy-3-(morpholin-4-ylmethyl)phenyl]-(2,4,6-trioxo-1,3-diazinan-5-yl)methyl]-1,3-diazinane-2,4,6-trione

Drug info:

PubChemData

Smile

CC(C)OCCCNC(=O)C1=CC=CC=C1N2C(=O)[C@@H]3CC4=C5C=CC=CC5=N[C@H]4[C@H](N3C2=O)C6=CC(=CC=C6)Cl

DOS

IR

Vibrations