Geometry & MOs

Info

ID:	147582
PubChem CID:	53787238
Reduced:	O2N5C18H31 (1)
Stoich.:	A2B5C18D31 (1)
Weight, g/mol:	189.115364
ΔH_f, kcal/mol:	-61.3
Dipole, Da:	2.35
IP(EA), eV:	-8.33(0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3-oxo-2-pent-2-ynylcyclopentyl)acetonitrile

Drug info:

PubChemData

Smile

COCCN(CCOC)C1=NC(=NC(=C1)N2CCCC2)N3CCCC3

DOS

IR

Vibrations