Geometry & MOs

Info

ID:	182341
PubChem CID:	76876828
Reduced:	O3N4C14H17 (1)
Stoich.:	A3B4C14D17 (1)
Weight, g/mol:	302.060425
ΔH_f, kcal/mol:	-34.09
Dipole, Da:	1.9
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.889601
Charge, e:	0

Chem-info

IUPAC name:

6-amino-5-[(5-chlorothiophen-2-yl)methylamino]-1-ethyl-1,3-diazinane-2,4-dione

Drug info:

PubChemData

Smile

CN1C(=O)C(=NCC2=CC=CC=C2COC)N=[N+](C1=O)C

DOS

IR

Vibrations