Geometry & MOs

Info

ID:	29733
PubChem CID:	836794
Reduced:	NOC17H21 (1)
Stoich.:	ABC17D21 (1)
Weight, g/mol:	250.120509
ΔH_f, kcal/mol:	-34.86
Dipole, Da:	3.22
IP(EA), eV:	-8.87(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(1S,2R)-2-hydroxycyclohexyl] 2-methoxybenzoate

Drug info:

PubChemData

Smile

CC(C)CCNC(=O)CC1=CC=CC2=CC=CC=C21

DOS

IR

Vibrations