Geometry & MOs

Info

ID:	369169
PubChem CID:	127331470
Reduced:	NOC5H7 (4)
Stoich.:	ABC5D7 (4)
Weight, g/mol:	399.252192
ΔH_f, kcal/mol:	-167.36
Dipole, Da:	3.11
IP(EA), eV:	-9.61(-1.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(1,3-benzoxazol-2-yl)-N-[(2-tert-butyloxan-3-yl)methyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC(C)(C)C1C(CCCO1)CNC(=O)C2=CC3=C(N=C2)N(C(=O)N(C3=O)C)C

DOS

IR

Vibrations