Geometry & MOs

Info

ID:	398429
PubChem CID:	135033265
Reduced:	O7C53H62 (1)
Stoich.:	A7B53C62 (1)
Weight, g/mol:	266.04582
ΔH_f, kcal/mol:	-226.21
Dipole, Da:	3.68
IP(EA), eV:	-9.2(0.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[(4-chlorophenyl)methyl]-1-methyl-1,3-diazinane-2,4,6-trione

Drug info:

PubChemData

Smile

C[C@]12CC[C@@H](CC1=CC[C@@H]3[C@@H]2CC[C@]4(C3CCC4=O)C)O[C@H]5C(C([C@H](C(O5)COCC6=CC=CC=C6)OCC7=CC=CC=C7)OCC8=CC=CC=C8)OCC9=CC=CC=C9

DOS

IR

Vibrations