Geometry & MOs

Info

ID:	355299
PubChem CID:	127288256
Reduced:	SO2N5C16H23 (1)
Stoich.:	AB2C5D16E23 (1)
Weight, g/mol:	348.252526
ΔH_f, kcal/mol:	-24.48
Dipole, Da:	4.77
IP(EA), eV:	-8.87(-0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CSC(=N1)NC(=O)CN2CCN(CC2)CC3=NC(=C(O3)C)C

DOS

IR

Vibrations