Geometry & MOs

Info

ID:	363526
PubChem CID:	127311605
Reduced:	N2O2C9H12 (2)
Stoich.:	A2B2C9D12 (2)
Weight, g/mol:	399.263425
ΔH_f, kcal/mol:	-119.65
Dipole, Da:	4.46
IP(EA), eV:	-8.69(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1-tert-butylpiperidin-4-yl)-4-(5-methyl-1,3-benzoxazol-2-yl)piperazine-1-carboxamide

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1)OC(=N2)N3CCN(CC3)C(=O)NCC4COCCO4

DOS

IR

Vibrations