Geometry & MOs

Info

ID:	351312
PubChem CID:	127280200
Reduced:	O3N4C21H36 (1)
Stoich.:	A3B4C21D36 (1)
Weight, g/mol:	398.231791
ΔH_f, kcal/mol:	-165.13
Dipole, Da:	6.72
IP(EA), eV:	-9.08(0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-[2-(1,2-benzoxazol-3-yl)acetyl]piperazin-1-yl]-N-cyclohexyl-N-methylacetamide

Drug info:

PubChemData

Smile

CC(=O)N1CCCC(C1)C(=O)N2CCN(CC2)CC(=O)N(C)C3CCCCC3

DOS

IR

Vibrations