Geometry & MOs

Info

ID:	350068
PubChem CID:	127276941
Reduced:	O2N3C16H29 (1)
Stoich.:	A2B3C16D29 (1)
Weight, g/mol:	331.200825
ΔH_f, kcal/mol:	-122.87
Dipole, Da:	1.45
IP(EA), eV:	-8.93(0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[4-[2-(2-ethylpyrrolidin-1-yl)acetyl]piperazin-1-yl]-2-methyl-1,3-oxazole-4-carbonitrile

Drug info:

PubChemData

Smile

CCC1CCCN1CC(=O)NC(C)C(=O)N2CCCCC2

DOS

IR

Vibrations