Geometry & MOs

Info

ID:	53220
PubChem CID:	14709812
Reduced:	O4H24C25 (1)
Stoich.:	A4B24C25 (1)
Weight, g/mol:	388.167459
ΔH_f, kcal/mol:	-95.7
Dipole, Da:	7.18
IP(EA), eV:	-8.98(-1.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-formylphenyl) 4-[4-[(2S)-2-methylbutoxy]phenyl]benzoate

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations