Geometry & MOs

Info

ID:	356581
PubChem CID:	127291807
Reduced:	N3O3C19H23 (1)
Stoich.:	A3B3C19D23 (1)
Weight, g/mol:	382.200491
ΔH_f, kcal/mol:	-64.21
Dipole, Da:	4.61
IP(EA), eV:	-9.0(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1COCC1C(=O)N2CCN(CC2)CC3=NC=C(O3)C4=CC=CC=C4

DOS

IR

Vibrations