Geometry & MOs

Info

ID:	369437
PubChem CID:	127333381
Reduced:	O3N4C20H28 (1)
Stoich.:	A3B4C20D28 (1)
Weight, g/mol:	396.252526
ΔH_f, kcal/mol:	-122.44
Dipole, Da:	5.39
IP(EA), eV:	-8.49(-0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-cyclopropyl-1,3-benzoxazol-5-yl)-3-[(2-methylpiperidin-1-yl)methyl]piperidine-1-carboxamide

Drug info:

PubChemData

Smile

CN1CCCC(C1)CN(C)C(=O)NC2=CC=C(C=C2)CN3C(=O)CCC3=O

DOS

IR

Vibrations