Geometry & MOs

Info

ID:	330754
PubChem CID:	127248161
Reduced:	N3O3C24H31 (1)
Stoich.:	A3B3C24D31 (1)
Weight, g/mol:	410.231791
ΔH_f, kcal/mol:	-79.08
Dipole, Da:	5.3
IP(EA), eV:	-9.54(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[3-(4-ethylpiperazine-1-carbonyl)-3-[(3-phenyl-1,2-oxazol-5-yl)methyl]pyrrolidin-1-yl]ethanone

Drug info:

PubChemData

Smile

CC(=O)N1CCC(C1)(CC2=CC(=NO2)C3=CC=CC=C3)C(=O)NCCC4CCCC4

DOS

IR

Vibrations