Geometry & MOs

Info

ID:	309660
PubChem CID:	126552610
Reduced:	O3C6H7 (2)
Stoich.:	A3B6C7 (2)
Weight, g/mol:	257.141579
ΔH_f, kcal/mol:	-193.27
Dipole, Da:	3.99
IP(EA), eV:	-9.16(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-benzyl-2-methyl-3-(oxan-2-yl)-3-oxopropanenitrile

Drug info:

PubChemData

Smile

CC(=O)OC1=C(C=C(C=C1OC)C2C(O2)O)OC

DOS

IR

Vibrations