Geometry & MOs

Info

ID:	345572
PubChem CID:	127269872
Reduced:	NOC7H10 (2)
Stoich.:	ABC7D10 (2)
Weight, g/mol:	399.134969
ΔH_f, kcal/mol:	-78.41
Dipole, Da:	3.36
IP(EA), eV:	-9.15(0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(5-chloro-1,3-benzoxazol-2-yl)-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)piperidine-1-carboxamide

Drug info:

PubChemData

Smile

CC1CCN(C1)C(=O)NC2CCCC3=C2C=CO3

DOS

IR

Vibrations