Geometry & MOs

Info

ID:	369369
PubChem CID:	127332662
Reduced:	O3N5C20H35 (1)
Stoich.:	A3B5C20D35 (1)
Weight, g/mol:	381.262757
ΔH_f, kcal/mol:	-101.41
Dipole, Da:	5.35
IP(EA), eV:	-9.25(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2-tert-butyloxan-3-yl)methyl]-4-(oxolane-2-carbonyl)piperazine-1-carboxamide

Drug info:

PubChemData

Smile

CC1=NOC(=N1)C(C)N2CCN(CC2)C(=O)NCC3CCCOC3C(C)(C)C

DOS

IR

Vibrations