Geometry & MOs

Info

ID:	437960
PubChem CID:	135227413
Reduced:	N6C13H26 (1)
Stoich.:	A6B13C26 (1)
Weight, g/mol:	464.162374
ΔH_f, kcal/mol:	48.03
Dipole, Da:	2.77
IP(EA), eV:	-8.81(0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[2-hydroxy-5-(4-hydroxyphenyl)phenyl]-(5-methylfuran-2-yl)methyl]-4-(4-hydroxyphenyl)phenol

Drug info:

PubChemData

Smile

CCNC(=NC)C(C)(C)N=NC(C)(C)C1=NCCN1

DOS

IR

Vibrations