Geometry & MOs

Info

ID:	124455
PubChem CID:	50884202
Reduced:	N2O5H22C25 (1)
Stoich.:	A2B5C22D25 (1)
Weight, g/mol:	424.06338
ΔH_f, kcal/mol:	-93.18
Dipole, Da:	7.1
IP(EA), eV:	-9.49(-2.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[[3-bromo-5-methoxy-4-(2-methylpropoxy)phenyl]methylidene]-1,3-dimethyl-1,3-diazinane-2,4,6-trione

Drug info:

PubChemData

Smile

CC\1=C(C(=O)N(C(=O)/C1=C/C2=CC=C(O2)C3=CC(=CC=C3)C(=O)OC(C)C)CC=C)C#N

DOS

IR

Vibrations