Geometry & MOs

Info

ID:	85260
PubChem CID:	49873185
Reduced:	ClNO4C22H34 (1)
Stoich.:	ABC4D22E34 (1)
Weight, g/mol:	250.120509
ΔH_f, kcal/mol:	-198.93
Dipole, Da:	5.62
IP(EA), eV:	-8.74(-0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(4-hydroxycyclohexyl)methoxy]benzoic acid

Drug info:

PubChemData

Smile

CC(C)CC(C1(CCC1)C2=CC=C(C=C2)Cl)N(C)C.C(CC(=O)O)CC(=O)O

DOS

IR

Vibrations