Geometry & MOs

Info

ID:	48263
PubChem CID:	10538456
Reduced:	NO2C15H21 (1)
Stoich.:	AB2C15D21 (1)
Weight, g/mol:	247.157229
ΔH_f, kcal/mol:	-87.84
Dipole, Da:	2.67
IP(EA), eV:	-9.54(0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4R,5R)-4-hydroxy-5-methyl-7-phenylmethoxyheptanenitrile

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations