Geometry & MOs

Info

ID:	276768
PubChem CID:	103825110
Reduced:	BrNO3C14H20 (1)
Stoich.:	ABC3D14E20 (1)
Weight, g/mol:	241.204179
ΔH_f, kcal/mol:	-121.97
Dipole, Da:	3.65
IP(EA), eV:	-9.52(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-ethyl-N-(4-hydroxy-2,2-dimethylbutyl)cyclopentane-1-carboxamide

Drug info:

PubChemData

Smile

CC(C)(CCO)CNC(=O)COC1=CC(=CC=C1)Br

DOS

IR

Vibrations