Geometry & MOs

Info

ID:	201790
PubChem CID:	79584332
Reduced:	N4C13H22 (1)
Stoich.:	A4B13C22 (1)
Weight, g/mol:	377.97444
ΔH_f, kcal/mol:	49.57
Dipole, Da:	2.64
IP(EA), eV:	-8.68(1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-chloro-2-(1,5-dimethylpyrazol-4-yl)-5-iodo-6-(methoxymethyl)pyrimidine

Drug info:

PubChemData

Smile

CC1=C(C=NN1C)C2C(CCN2C3CC3)CN

DOS

IR

Vibrations