Geometry & MOs

Info

ID:	226290
PubChem CID:	87350376
Reduced:	OSN2H24C27 (1)
Stoich.:	ABC2D24E27 (1)
Weight, g/mol:	278.256943
ΔH_f, kcal/mol:	62.79
Dipole, Da:	5.0
IP(EA), eV:	-8.82(-1.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-amino-3,3-dimethylbutan-2-ol;2-[tert-butyl(2-hydroxyethyl)amino]ethanol

Drug info:

PubChemData

Smile

CC1=NC=CC(=C1)C2=CC=C(C=C2)NC(=O)C(C)C3=CC=CC(=C3)C4=CC(=S)CC=C4

DOS

IR

Vibrations