Geometry & MOs

Info

ID:	421216
PubChem CID:	135115601
Reduced:	ON6C17H20 (1)
Stoich.:	AB6C17D20 (1)
Weight, g/mol:	377.152161
ΔH_f, kcal/mol:	47.44
Dipole, Da:	2.38
IP(EA), eV:	-8.93(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-ethyl-4-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]pyrimidin-2-amine

Drug info:

PubChemData

Smile

CC1=NC2=C(C=NN2C)C(=N1)N3C[C@H]([C@H](C3)O)CC4=CC=NC=C4

DOS

IR

Vibrations