Geometry & MOs

Info

ID:	265827
PubChem CID:	103550893
Reduced:	BrN2O3C13H15 (1)
Stoich.:	AB2C3D13E15 (1)
Weight, g/mol:	213.100108
ΔH_f, kcal/mol:	-110.85
Dipole, Da:	2.94
IP(EA), eV:	-9.31(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(oxetan-3-ylcarbamoyl)cyclopentane-1-carboxylic acid

Drug info:

PubChemData

Smile

CC1=C(C=CC(=N1)NC(=O)C2CCC(C2)C(=O)O)Br

DOS

IR

Vibrations