Geometry & MOs

Info

ID:	53221
PubChem CID:	14709813
Reduced:	O4H24C25 (1)
Stoich.:	A4B24C25 (1)
Weight, g/mol:	409.225308
ΔH_f, kcal/mol:	-95.05
Dipole, Da:	7.02
IP(EA), eV:	-8.95(-1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC[C@H](C)COC1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)OC3=CC=C(C=C3)C=O

DOS

IR

Vibrations