Geometry & MOs

Info

ID:	298785
PubChem CID:	117656783
Reduced:	NCl2O2C23H23 (1)
Stoich.:	AB2C2D23E23 (1)
Weight, g/mol:	202.173294
ΔH_f, kcal/mol:	-48.78
Dipole, Da:	2.42
IP(EA), eV:	-9.56(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-cyclopropyl-3-ethyl-1-fluoro-4,4-dimethylpentan-1-ol

Drug info:

PubChemData

Smile

CC(=O)[C@H](C1CC1)N2[C@@H]([C@H](CCC2=O)C3=CC(=CC=C3)Cl)C4=CC=C(C=C4)Cl

DOS

IR

Vibrations