Geometry & MOs

Info

ID:	339080
PubChem CID:	127260332
Reduced:	NO4C25H25 (1)
Stoich.:	AB4C25D25 (1)
Weight, g/mol:	376.167459
ΔH_f, kcal/mol:	-109.84
Dipole, Da:	11.66
IP(EA), eV:	-8.83(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[bis(4-hydroxyphenyl)methyl]butyl benzoate

Drug info:

PubChemData

Smile

CCCCC1=CC=C(C=C1)N(C)C2=CC(=C(C=C2)C(=O)C3=CC=CC=C3C(=O)O)O

DOS

IR

Vibrations