Geometry & MOs

Info

ID:	446026
PubChem CID:	135271636
Reduced:	SN4O6C28H30 (1)
Stoich.:	AB4C6D28E30 (1)
Weight, g/mol:	192.151415
ΔH_f, kcal/mol:	-145.56
Dipole, Da:	4.08
IP(EA), eV:	-8.73(-1.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-ethyl-4-(2-methylbutan-2-yloxy)benzene

Drug info:

PubChemData

Smile

CC1(OC2C(OC(C2O1)N3C=NC4=C3N=CN=C4SCC5=CC=C(C=C5)OCC6=CC=C(C=C6)OC)CO)C

DOS

IR

Vibrations