Geometry & MOs

Info

ID:	183404
PubChem CID:	77019173
Reduced:	O2N4C13H18 (1)
Stoich.:	A2B4C13D18 (1)
Weight, g/mol:	292.117155
ΔH_f, kcal/mol:	-66.31
Dipole, Da:	4.55
IP(EA), eV:	-8.35(0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-methyl-3-[[2-(methylamino)-5-nitrophenyl]methyl]-1,3-diazinane-2,4-dione

Drug info:

PubChemData

Smile

CCNC1=NC=C(C=C1)CN2C(=O)CCN(C2=O)C

DOS

IR

Vibrations