Geometry & MOs

Info

ID:	163070
PubChem CID:	57588035
Reduced:	ClN3O4C31H40 (1)
Stoich.:	AB3C4D31E40 (1)
Weight, g/mol:	262.087291
ΔH_f, kcal/mol:	-174.59
Dipole, Da:	4.58
IP(EA), eV:	-9.33(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-amino-1-(4-chlorophenyl)-2-pyridin-2-ylpropan-2-ol

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N1CCC[C@H]1C[C@@H](C2=CC(=CC=C2)Cl)NCC(=O)N3CCC4(CC3)C5=CC=CC=C5CO4

DOS

IR

Vibrations