Geometry & MOs

Info

ID:	369366
PubChem CID:	127332643
Reduced:	ON2C11H15 (2)
Stoich.:	AB2C11D15 (2)
Weight, g/mol:	380.278741
ΔH_f, kcal/mol:	-40.83
Dipole, Da:	7.37
IP(EA), eV:	-8.52(0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)C1=NC2=C(N1C)CCN(C2)C(=O)NCC3=CC=CC=C3OC4CCC4

DOS

IR

Vibrations