Geometry & MOs

Info

ID:	231383
PubChem CID:	87573594
Reduced:	BrN3O3C17H24 (1)
Stoich.:	AB3C3D17E24 (1)
Weight, g/mol:	317.090864
ΔH_f, kcal/mol:	-102.6
Dipole, Da:	7.1
IP(EA), eV:	-8.91(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3-aminopropyl)-2-sulfanylcyclopentane-1-carboxylic acid;2,2,2-trifluoroacetic acid

Drug info:

PubChemData

Smile

CC1=C(C=C(C=N1)N(CC2(CC2)C(C(C)(C)C)NC(=O)O)C=O)Br

DOS

IR

Vibrations