Geometry & MOs

Info

ID:	178736
PubChem CID:	76372963
Reduced:	BrON6C21H23 (1)
Stoich.:	ABC6D21E23 (1)
Weight, g/mol:	380.180771
ΔH_f, kcal/mol:	16.64
Dipole, Da:	4.8
IP(EA), eV:	-8.59(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-phenylmethoxy-5-(6-triethylsilylhexa-1,3,5-triynyl)oxolan-3-ol

Drug info:

PubChemData

Smile

C1CCC(C(C1)N)NC2=C(C=C(C(=N2)NC3=CC4=CC=CC=C4N=C3)C(=O)N)Br

DOS

IR

Vibrations