Geometry & MOs

Info

ID:	125971
PubChem CID:	50946153
Reduced:	N3O3H13C15 (1)
Stoich.:	A3B3C13D15 (1)
Weight, g/mol:	375.172896
ΔH_f, kcal/mol:	-65.22
Dipole, Da:	6.44
IP(EA), eV:	-9.21(-1.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(4-benzylsulfonylpiperazin-1-yl)-N-ethyl-6-methylpyrimidin-2-amine

Drug info:

PubChemData

Smile

CC1=CC(=O)OC2=C(C(=O)/C(=C\3/C=CN=C(N3)N)/C=C12)C

DOS

IR

Vibrations