Geometry & MOs

Info

ID:	215978
PubChem CID:	85085531
Reduced:	O2N3C10H13 (1)
Stoich.:	A2B3C10D13 (1)
Weight, g/mol:	209.116427
ΔH_f, kcal/mol:	-45.81
Dipole, Da:	4.33
IP(EA), eV:	-9.35(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-methyl-1-(2-methylpropyl)-2,4-dioxo-1,3-diazinane-5-carbonitrile

Drug info:

PubChemData

Smile

CCOC(=O)C(=CC1=NC=NC(=C1)C)N

DOS

IR

Vibrations