Geometry & MOs

Info

ID:	356554
PubChem CID:	127291776
Reduced:	O3N6C19H24 (1)
Stoich.:	A3B6C19D24 (1)
Weight, g/mol:	306.169191
ΔH_f, kcal/mol:	-46.42
Dipole, Da:	3.0
IP(EA), eV:	-8.94(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5R)-5-[4-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperazine-1-carbonyl]pyrrolidin-2-one

Drug info:

PubChemData

Smile

CC1=C(OC(=N1)CN2CCN(CC2)C(=O)CC3=C(N=C4C=CNN4C3=O)C)C

DOS

IR

Vibrations