Geometry & MOs

Info

ID:	353710
PubChem CID:	127285287
Reduced:	O2N3C18H33 (1)
Stoich.:	A2B3C18D33 (1)
Weight, g/mol:	359.232125
ΔH_f, kcal/mol:	-134.1
Dipole, Da:	2.01
IP(EA), eV:	-8.93(0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C(=O)N1CCCCC1)NC(=O)CN2CCCC2C(C)(C)C

DOS

IR

Vibrations