Geometry & MOs

Info

ID:	315433
PubChem CID:	126626545
Reduced:	N3C7H13 (1)
Stoich.:	A3B7C13 (1)
Weight, g/mol:	378.21705
ΔH_f, kcal/mol:	50.98
Dipole, Da:	1.22
IP(EA), eV:	-9.44(-0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-tert-butyl-1-methyl-2-[3-methyl-3-[4-(trifluoromethyl)phenyl]butoxy]benzene

Drug info:

PubChemData

Smile

CC(C)C(=NC=NC)N=C

DOS

IR

Vibrations