Geometry & MOs

Info

ID:	430145
PubChem CID:	135170207
Reduced:	SN2O3H18C26 (1)
Stoich.:	AB2C3D18E26 (1)
Weight, g/mol:	370.19328
ΔH_f, kcal/mol:	25.42
Dipole, Da:	6.88
IP(EA), eV:	-8.63(-1.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-hex-5-ynoxy-3-methyl-5-(2-methyl-5-phenylphenoxy)benzene

Drug info:

PubChemData

Smile

C#CCNC(=O)C1=CC2=C(C=C1)C3=C(C2=O)C(SC4=CC=CC=C4N3)C5=CC(=CC=C5)O

DOS

IR

Vibrations