Geometry & MOs

Info

ID:	179763
PubChem CID:	76527652
Reduced:	N3O10H25C29 (1)
Stoich.:	A3B10C25D29 (1)
Weight, g/mol:	325.142641
ΔH_f, kcal/mol:	-147.18
Dipole, Da:	5.23
IP(EA), eV:	-9.65(-1.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,4-dibenzyl-5-(hydroxymethyl)-1,2,4-triazinane-3,6-dione

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)N2C(OC(C(=C2C(=O)OC)C(=O)OC)C3=CC=C(C=C3)[N+](=O)[O-])C=CC4=CC=C(C=C4)[N+](=O)[O-]

DOS

IR

Vibrations