Geometry & MOs

Info

ID:	313994
PubChem CID:	126619447
Reduced:	OSN2C8H10 (1)
Stoich.:	ABC2D8E10 (1)
Weight, g/mol:	410.318481
ΔH_f, kcal/mol:	-16.3
Dipole, Da:	4.38
IP(EA), eV:	-8.6(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-1-(2-methylbutan-2-yl)-4-[2-[[3-methyl-4-(2-methylbutan-2-yl)phenyl]methoxy]ethoxymethyl]benzene

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1O)NC(=S)N

DOS

IR

Vibrations