Geometry & MOs

Info

ID:	367826
PubChem CID:	127325934
Reduced:	O2N3C16H27 (1)
Stoich.:	A2B3C16D27 (1)
Weight, g/mol:	394.203862
ΔH_f, kcal/mol:	-108.59
Dipole, Da:	7.72
IP(EA), eV:	-8.86(0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-[4-(4-methylcyclohexyl)piperazin-1-yl]-2-oxoethyl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide

Drug info:

PubChemData

Smile

CC1CCC(CC1)N2CCN(CC2)C(=O)C3CCC(=O)N3

DOS

IR

Vibrations