Geometry & MOs

Info

ID:	328238
PubChem CID:	126700336
Reduced:	SF3N4O5H35C36 (1)
Stoich.:	AB3C4D5E35F36 (1)
Weight, g/mol:	173.177964
ΔH_f, kcal/mol:	-195.66
Dipole, Da:	2.71
IP(EA), eV:	-7.96(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N,2-dimethyl-4-[(2-methylpropan-2-yl)oxy]butan-2-amine

Drug info:

PubChemData

Smile

CN(C1=CC(=C(C=C1)OC)OC)C2=CN=C(N2C3=CC(=C(C=C3)F)OC)SCC4=C(C=C(C=C4F)C5=CC=C(C=C5)C(=O)NCCOC)F

DOS

IR

Vibrations