Geometry & MOs

Info

ID:	294486
PubChem CID:	117463761
Reduced:	NO3C17H21 (1)
Stoich.:	AB3C17D21 (1)
Weight, g/mol:	287.188529
ΔH_f, kcal/mol:	-109.44
Dipole, Da:	3.81
IP(EA), eV:	-9.26(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[3-(pyrrolidin-1-ylmethyl)phenyl]cyclohexane-1-carboxylic acid

Drug info:

PubChemData

Smile

CCOC(=O)C(C1=CC2=CN=CC(=C2C=C1)C(C)(C)C)O

DOS

IR

Vibrations