Geometry & MOs

Info

ID:	258561
PubChem CID:	103154965
Reduced:	FO2N5C13H16 (1)
Stoich.:	AB2C5D13E16 (1)
Weight, g/mol:	286.189257
ΔH_f, kcal/mol:	-58.56
Dipole, Da:	8.25
IP(EA), eV:	-9.17(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 4-[(4-amino-3-methoxybutanoyl)amino]cyclohexane-1-carboxylate

Drug info:

PubChemData

Smile

COC(CC(=O)NC1=CC(=C(C=C1)N2C=NC=N2)F)CN

DOS

IR

Vibrations