Geometry & MOs

Info

ID:	53222
PubChem CID:	14709815
Reduced:	NO4C25H31 (1)
Stoich.:	AB4C25D31 (1)
Weight, g/mol:	409.225308
ΔH_f, kcal/mol:	-129.97
Dipole, Da:	7.93
IP(EA), eV:	-9.47(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-[(R)-cyano(hydroxy)methyl]phenyl] 4-decoxybenzoate

Drug info:

PubChemData

Smile

CCCCCCCCCCOC1=CC=C(C=C1)C(=O)OC2=CC=C(C=C2)C(C#N)O

DOS

IR

Vibrations