Geometry & MOs

Info

ID:	340367
PubChem CID:	127262378
Reduced:	ClOC15H17 (1)
Stoich.:	ABC15D17 (1)
Weight, g/mol:	213.136493
ΔH_f, kcal/mol:	-39.16
Dipole, Da:	3.22
IP(EA), eV:	-9.49(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(1S,3R)-3-(dimethylcarbamoyl)cyclohexyl] acetate

Drug info:

PubChemData

Smile

CC1(CCC/C(=C\C2=CC=CC=C2)/C1)C(=O)Cl

DOS

IR

Vibrations