Geometry & MOs

Info

ID:	224271
PubChem CID:	85341018
Reduced:	NS2C14H25 (1)
Stoich.:	AB2C14D25 (1)
Weight, g/mol:	272.174945
ΔH_f, kcal/mol:	0.03
Dipole, Da:	3.79
IP(EA), eV:	-8.28(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(3,5-dimethylpiperazin-1-yl)-2-(4-methylimidazol-1-yl)pyrimidine

Drug info:

PubChemData

Smile

CC(C=C)C(C(=S)N(C)C)SC1CCCCC1

DOS

IR

Vibrations