Geometry & MOs

Info

ID:	53227
PubChem CID:	14709822
Reduced:	NO4H25C26 (1)
Stoich.:	AB4C25D26 (1)
Weight, g/mol:	493.282823
ΔH_f, kcal/mol:	-79.8
Dipole, Da:	8.08
IP(EA), eV:	-8.95(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC(C)COC1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)OC3=CC=C(C=C3)C(C#N)O

DOS

IR

Vibrations