Geometry & MOs

Info

ID:	220355
PubChem CID:	85177328
Reduced:	NO2C15H21 (1)
Stoich.:	AB2C15D21 (1)
Weight, g/mol:	247.157229
ΔH_f, kcal/mol:	-87.69
Dipole, Da:	2.21
IP(EA), eV:	-9.54(0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-hydroxy-5-methyl-7-phenylmethoxyheptanenitrile

Drug info:

PubChemData

Smile

CC=C(CNC(=O)OC(C)(C)C)C1=CC=CC=C1

DOS

IR

Vibrations