Geometry & MOs

Info

ID:	89743
PubChem CID:	49964228
Reduced:	NOC15H29 (1)
Stoich.:	ABC15D29 (1)
Weight, g/mol:	303.183444
ΔH_f, kcal/mol:	-91.11
Dipole, Da:	2.82
IP(EA), eV:	-8.54(2.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(3,5-dimethylphenyl)carbamoyl]-1,2,2-trimethylcyclopentane-1-carboxylic acid

Drug info:

PubChemData

Smile

CC1(C(CCC1(C)CO)CN2CCCCC2)C

DOS

IR

Vibrations