Geometry & MOs

Info

ID:	344588
PubChem CID:	127268172
Reduced:	O2N3C15H27 (1)
Stoich.:	A2B3C15D27 (1)
Weight, g/mol:	317.185175
ΔH_f, kcal/mol:	-119.14
Dipole, Da:	1.4
IP(EA), eV:	-9.15(0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1CCN(C1)CC(=O)NC(C)C(=O)N2CCCCC2

DOS

IR

Vibrations