Geometry & MOs

Info

ID:	205707
PubChem CID:	80137929
Reduced:	O2N4C13H14 (1)
Stoich.:	A2B4C13D14 (1)
Weight, g/mol:	261.093583
ΔH_f, kcal/mol:	42.73
Dipole, Da:	9.73
IP(EA), eV:	-9.48(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(2,4-dimethylphenyl)sulfanyl-6-methoxypyrimidin-5-amine

Drug info:

PubChemData

Smile

CCNC1=NC(=C(C=C1)[N+](=O)[O-])C2=C(C=NC=C2)C

DOS

IR

Vibrations