Geometry & MOs

Info

ID:	195614
PubChem CID:	78712832
Reduced:	NO3C11H11 (2)
Stoich.:	AB3C11D11 (2)
Weight, g/mol:	396.148535
ΔH_f, kcal/mol:	-156.25
Dipole, Da:	7.74
IP(EA), eV:	-9.12(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[cyclopropyl-[(2-fluorophenyl)methyl]amino]-2-oxoethyl] 2-(4-cyanophenoxy)propanoate

Drug info:

PubChemData

Smile

CCN(CC1=CC2=C(C=C1)OCO2)C(=O)COC(=O)C(C)OC3=CC=C(C=C3)C#N

DOS

IR

Vibrations