Geometry & MOs

Info

ID:	417164
PubChem CID:	135091557
Reduced:	N3O3C18H29 (1)
Stoich.:	A3B3C18D29 (1)
Weight, g/mol:	375.172896
ΔH_f, kcal/mol:	-111.7
Dipole, Da:	2.75
IP(EA), eV:	-9.48(0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-ethyl-5-methyl-6-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]pyrimidin-2-amine

Drug info:

PubChemData

Smile

CC1=NOC(=C1)C[C@@H]2CN(C[C@@H]2O)CC(=O)NCC3CCCCC3

DOS

IR

Vibrations