Geometry & MOs

Info

ID:	282520
PubChem CID:	103929067
Reduced:	O2N3C16H25 (1)
Stoich.:	A2B3C16D25 (1)
Weight, g/mol:	297.205242
ΔH_f, kcal/mol:	-79.67
Dipole, Da:	4.08
IP(EA), eV:	-8.34(-0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-2-amino-3,3-dimethyl-1-[4-(oxolane-2-carbonyl)piperazin-1-yl]butan-1-one

Drug info:

PubChemData

Smile

CC(C)(C)[C@H](C(=O)N1CCN(CC1)C2=CC=CC=C2O)N

DOS

IR

Vibrations