Geometry & MOs

Info

ID:	200374
PubChem CID:	79378651
Reduced:	BrNSO4C14H22 (1)
Stoich.:	ABCD4E14F22 (1)
Weight, g/mol:	272.282764
ΔH_f, kcal/mol:	-171.13
Dipole, Da:	7.96
IP(EA), eV:	-9.14(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[ethyl-[2-ethyl-2-[(propan-2-ylamino)methyl]butyl]amino]-2-methylpropan-2-ol

Drug info:

PubChemData

Smile

CCN(CC(C)(C)O)S(=O)(=O)C1=C(C=CC(=C1)Br)OCC

DOS

IR

Vibrations