Geometry & MOs

Info

ID:	28790
PubChem CID:	829648
Reduced:	N2O2C19H32 (1)
Stoich.:	A2B2C19D32 (1)
Weight, g/mol:	294.194343
ΔH_f, kcal/mol:	-143.46
Dipole, Da:	5.34
IP(EA), eV:	-8.95(0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,4S)-1-(4-ethylpiperazine-1-carbonyl)-4,7,7-trimethyl-2-oxabicyclo[2.2.1]heptan-3-one

Drug info:

PubChemData

Smile

CC1(CC(CC(N1)(C)C)NC(=O)C2C[C@H]3CCC[C@H](C2)C3=O)C

DOS

IR

Vibrations