Geometry & MOs

Info

ID:	430143
PubChem CID:	135170205
Reduced:	O2N3C21H37 (1)
Stoich.:	A2B3C21D37 (1)
Weight, g/mol:	310.156895
ΔH_f, kcal/mol:	-119.67
Dipole, Da:	4.23
IP(EA), eV:	-8.52(0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[2-[4-(4-hydroxy-2-methylbut-3-yn-2-yl)oxyphenyl]propan-2-yl]phenol

Drug info:

PubChemData

Smile

CCOC(=O)N1CCC2(C1)CC(C2)N3CCC(CC3)C4CCCCN4C

DOS

IR

Vibrations