Geometry & MOs

Info

ID:	274464
PubChem CID:	103809509
Reduced:	O2F3N3C13H16 (1)
Stoich.:	A2B3C3D13E16 (1)
Weight, g/mol:	227.163377
ΔH_f, kcal/mol:	-251.67
Dipole, Da:	6.39
IP(EA), eV:	-9.19(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-amino-N-(3-amino-2,2-dimethyl-3-oxopropyl)cyclopentane-1-carboxamide

Drug info:

PubChemData

Smile

CC(C)(CNC(=O)C1=C(C=CC(=C1)C(F)(F)F)N)C(=O)N

DOS

IR

Vibrations