Geometry & MOs

Info

ID:	155006
PubChem CID:	56314572
Reduced:	O2N3C21H33 (1)
Stoich.:	A2B3C21D33 (1)
Weight, g/mol:	489.102624
ΔH_f, kcal/mol:	-110.7
Dipole, Da:	7.28
IP(EA), eV:	-8.35(-0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-(5-chloro-1,3-benzoxazol-2-yl)piperidin-1-yl]-[2-(1-phenylpyrazol-4-yl)-1,3-thiazol-4-yl]methanone

Drug info:

PubChemData

Smile

CCCN(CC)C1=CC=C(C=C1)C(=O)NC2(CCCCC2)C(=O)NCC

DOS

IR

Vibrations