Geometry & MOs

Info

ID:	367623
PubChem CID:	127325113
Reduced:	O2N7C19H25 (1)
Stoich.:	A2B7C19D25 (1)
Weight, g/mol:	397.193632
ΔH_f, kcal/mol:	-0.98
Dipole, Da:	0.7
IP(EA), eV:	-9.04(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(cyclohexylmethylsulfanyl)pyridin-3-yl]-(4-pyrazin-2-ylpiperazin-1-yl)methanone

Drug info:

PubChemData

Smile

CN1C=C(C=N1)C2C(CCC(=O)N2C)C(=O)N3CCN(CC3)C4=NC=CN=C4

DOS

IR

Vibrations