Geometry & MOs

Info

ID:	27005
PubChem CID:	811128
Reduced:	SN2O3C15H22 (1)
Stoich.:	AB2C3D15E22 (1)
Weight, g/mol:	272.09094
ΔH_f, kcal/mol:	-117.67
Dipole, Da:	4.12
IP(EA), eV:	-9.43(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4,6-dimethylpyrimidin-2-yl)-4-nitrobenzamide

Drug info:

PubChemData

Smile

CCOC(=O)C1=CSC(=N1)CN(C2CCCCC2)C(=O)C

DOS

IR

Vibrations