Geometry & MOs

Info

ID:	398541
PubChem CID:	135033740
Reduced:	NPO3C23H28 (1)
Stoich.:	ABC3D23E28 (1)
Weight, g/mol:	206.167065
ΔH_f, kcal/mol:	-133.6
Dipole, Da:	5.36
IP(EA), eV:	-8.99(-0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-pentan-3-yloxypropylbenzene

Drug info:

PubChemData

Smile

C[C@@H](CC(=O)OCC=C)NP1(=O)[C@@H](CC[C@H]1C2=CC=CC=C2)C3=CC=CC=C3

DOS

IR

Vibrations