Geometry & MOs

Info

ID:	283242
PubChem CID:	103967004
Reduced:	ClNO2C17H24 (1)
Stoich.:	ABC2D17E24 (1)
Weight, g/mol:	297.113171
ΔH_f, kcal/mol:	-127.06
Dipole, Da:	5.25
IP(EA), eV:	-9.41(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-chloro-2-[[1-(hydroxymethyl)cyclohexyl]methylamino]benzoic acid

Drug info:

PubChemData

Smile

CC1(CC(CC(C1)(C)C)NC(=O)C2=C(C=C(C=C2)Cl)O)C

DOS

IR

Vibrations