Geometry & MOs

Info

ID:	53800
PubChem CID:	14717992
Reduced:	N2O4H20C21 (1)
Stoich.:	A2B4C20D21 (1)
Weight, g/mol:	211.106925
ΔH_f, kcal/mol:	-90.55
Dipole, Da:	5.48
IP(EA), eV:	-9.53(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-amino-2-(diethylamino)-5-nitroso-1H-pyrimidin-4-one

Drug info:

PubChemData

Smile

C1[C@H](C2=NC(C(N=C2C[C@@]1(C(=O)O)O)C3=CC=CC=C3)C4=CC=CC=C4)O

DOS

IR

Vibrations