Geometry & MOs

Info

ID:	205947
PubChem CID:	80181391
Reduced:	ON4C14H22 (1)
Stoich.:	AB4C14D22 (1)
Weight, g/mol:	243.125929
ΔH_f, kcal/mol:	-28.9
Dipole, Da:	2.27
IP(EA), eV:	-9.65(-0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2-methyloxolan-2-yl)-2-(3-methylphenyl)-3-oxopropanenitrile

Drug info:

PubChemData

Smile

CC1(CCCO1)C2=NC(=NC(=N2)C3CCCCC3)N

DOS

IR

Vibrations