Geometry & MOs

Info

ID:	359801
PubChem CID:	127299845
Reduced:	O2S2N3C19H25 (1)
Stoich.:	A2B2C3D19E25 (1)
Weight, g/mol:	394.24811
ΔH_f, kcal/mol:	-49.9
Dipole, Da:	3.77
IP(EA), eV:	-8.73(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-cyclohexyl-2-[4-(6-methyl-2-pyridin-2-ylpyrimidin-4-yl)piperazin-1-yl]acetamide

Drug info:

PubChemData

Smile

C1CCC(CC1)C2=NC(=C3C4=C(CCC4)SC3=N2)N5CCS(=O)(=O)CC5

DOS

IR

Vibrations