Geometry & MOs

Info

ID:	261822
PubChem CID:	103253199
Reduced:	NO3C13H25 (1)
Stoich.:	AB3C13D25 (1)
Weight, g/mol:	295.178358
ΔH_f, kcal/mol:	-177.33
Dipole, Da:	6.74
IP(EA), eV:	-9.69(0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 5-[1-[(1-hydroxycycloheptyl)methylamino]ethyl]furan-2-carboxylate

Drug info:

PubChemData

Smile

CC1CCC(CC1)(CNC(C(C)C)C(=O)O)O

DOS

IR

Vibrations