Geometry & MOs

Info

ID:	283366
PubChem CID:	103977709
Reduced:	NO3C13H21 (1)
Stoich.:	AB3C13D21 (1)
Weight, g/mol:	276.111007
ΔH_f, kcal/mol:	-140.81
Dipole, Da:	7.57
IP(EA), eV:	-9.93(0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(4-carbamoylphenyl)carbamoyl]cyclopentane-1-carboxylic acid

Drug info:

PubChemData

Smile

CCCN(C1CC1)C(=O)C2CCCC2C(=O)O

DOS

IR

Vibrations