Geometry & MOs

Info

ID:	277789
PubChem CID:	103830984
Reduced:	N2O3C16H24 (1)
Stoich.:	A2B3C16D24 (1)
Weight, g/mol:	297.205242
ΔH_f, kcal/mol:	-114.04
Dipole, Da:	3.63
IP(EA), eV:	-8.65(0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-amino-1-[4-(oxolane-2-carbonyl)piperazin-1-yl]hexan-1-one

Drug info:

PubChemData

Smile

CCCC[C@@H](C(=O)N(C)CC1COC2=CC=CC=C2O1)N

DOS

IR

Vibrations