Geometry & MOs

Info

ID:	380840
PubChem CID:	134971409
Reduced:	NOC11H14 (2)
Stoich.:	ABC11D14 (2)
Weight, g/mol:	264.20893
ΔH_f, kcal/mol:	-82.15
Dipole, Da:	3.87
IP(EA), eV:	-8.89(-0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-phenylmethoxydecan-4-ol

Drug info:

PubChemData

Smile

C[C@@]12C[C@](CC(C1)(C(=O)NC2)C)(C)C3=NC4=C(O3)C=C5CCCCC5=C4

DOS

IR

Vibrations