Geometry & MOs

Info

ID:	350806
PubChem CID:	127279094
Reduced:	OSN5C19H27 (1)
Stoich.:	ABC5D19E27 (1)
Weight, g/mol:	356.221226
ΔH_f, kcal/mol:	-6.73
Dipole, Da:	2.15
IP(EA), eV:	-8.73(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-(1,3-benzoxazol-2-yl)piperazin-1-yl]-N-(4-methylcyclohexyl)acetamide

Drug info:

PubChemData

Smile

CC1CCC(CC1)NC(=O)CN2CCN(CC2)C3=NC=NC4=C3SC=C4

DOS

IR

Vibrations