Geometry & MOs

Info

ID:	125991
PubChem CID:	50947254
Reduced:	OSN5H13C14 (1)
Stoich.:	ABC5D13E14 (1)
Weight, g/mol:	429.219846
ΔH_f, kcal/mol:	78.26
Dipole, Da:	5.28
IP(EA), eV:	-9.05(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-methyl-2-pyrrolidin-1-yl-6-[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-yl]pyrimidine

Drug info:

PubChemData

Smile

CCC1=C(N=NN1C2=CC=CC=C2)C(=O)NC3=NC=CS3

DOS

IR

Vibrations