Geometry & MOs

Info

ID:	283381
PubChem CID:	103978806
Reduced:	NO3C13H21 (1)
Stoich.:	AB3C13D21 (1)
Weight, g/mol:	267.183444
ΔH_f, kcal/mol:	-150.56
Dipole, Da:	8.28
IP(EA), eV:	-10.37(0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-ethylazepane-1-carbonyl)cyclopentane-1-carboxylic acid

Drug info:

PubChemData

Smile

CC(CC1CC1)NC(=O)C2CCCC2C(=O)O

DOS

IR

Vibrations