Geometry & MOs

Info

ID:	445980
PubChem CID:	135270992
Reduced:	SCl2O4N5C24H29 (1)
Stoich.:	AB2C4D5E24F29 (1)
Weight, g/mol:	174.115698
ΔH_f, kcal/mol:	-86.8
Dipole, Da:	6.76
IP(EA), eV:	-7.99(-1.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,4-dimethyl-6-pent-1-ynylpyrimidine

Drug info:

PubChemData

Smile

CN1CCN(CC1)CCCN2C3=NC(=NC=C3C=C(C2=O)C4=C(C(=CC(=C4Cl)OC)OC)Cl)S(=O)C

DOS

IR

Vibrations