Geometry & MOs

Info

ID:	197475
PubChem CID:	78968581
Reduced:	ClN2C16H21 (1)
Stoich.:	AB2C16D21 (1)
Weight, g/mol:	186.125594
ΔH_f, kcal/mol:	3.26
Dipole, Da:	4.23
IP(EA), eV:	-8.57(-0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-ethoxy-3-methylcyclohexane-1-carboxylic acid

Drug info:

PubChemData

Smile

CC1CCCCC1NCC2=CNC3=C2C=CC(=C3)Cl

DOS

IR

Vibrations