Geometry & MOs

Info

ID:	295645
PubChem CID:	117541280
Reduced:	NO2C12H19 (1)
Stoich.:	AB2C12D19 (1)
Weight, g/mol:	221.177964
ΔH_f, kcal/mol:	-77.53
Dipole, Da:	4.38
IP(EA), eV:	-8.67(0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-3-(methylamino)-2-(4-propan-2-ylphenyl)propan-1-ol

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)OC)C(CNC)CO

DOS

IR

Vibrations