Geometry & MOs

Info

ID:	394386
PubChem CID:	135022897
Reduced:	IOC17H18 (1)
Stoich.:	ABC17D18 (1)
Weight, g/mol:	451.189592
ΔH_f, kcal/mol:	26.78
Dipole, Da:	3.59
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.165616
Charge, e:	0

Chem-info

IUPAC name:

4-[azido-(3-phenylmethoxyphenyl)methyl]-2-methoxy-1-phenylmethoxybenzene

Drug info:

PubChemData

Smile

CC1CC2[C@@H]([I-]2(C3=CC=CC=C3)O)C4=CC=CC=C14

DOS

IR

Vibrations