Geometry & MOs

Info

ID:	414014
PubChem CID:	135086967
Reduced:	NO4C11H19 (1)
Stoich.:	AB4C11D19 (1)
Weight, g/mol:	187.099714
ΔH_f, kcal/mol:	-210.72
Dipole, Da:	6.75
IP(EA), eV:	-10.2(0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(3,3-dimethyloxiran-2-yl)methyl]benzonitrile

Drug info:

PubChemData

Smile

C[C@H]1CC(=O)OC[C@H]1NC(=O)OC(C)(C)C

DOS

IR

Vibrations