Geometry & MOs

Info

ID:	261762
PubChem CID:	103249727
Reduced:	NSO2C11H15 (1)
Stoich.:	ABC2D11E15 (1)
Weight, g/mol:	267.147058
ΔH_f, kcal/mol:	-57.47
Dipole, Da:	6.26
IP(EA), eV:	-9.1(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 5-[1-[(2-hydroxycyclohexyl)amino]ethyl]furan-2-carboxylate

Drug info:

PubChemData

Smile

CC(C1=CSC=C1)NC/C(=C/C(=O)O)/C

DOS

IR

Vibrations