Geometry & MOs

Info

ID:	209619
PubChem CID:	80694791
Reduced:	NO2F4C6H9 (1)
Stoich.:	AB2C4D6E9 (1)
Weight, g/mol:	290.163043
ΔH_f, kcal/mol:	-299.1
Dipole, Da:	2.87
IP(EA), eV:	-9.96(0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[cyclopropyl(ethyl)amino]-2-oxoethyl] 3-(3-aminophenyl)propanoate

Drug info:

PubChemData

Smile

C(CF)N(CC(=O)O)CC(F)(F)F

DOS

IR

Vibrations