Geometry & MOs

Info

ID:	83219
PubChem CID:	49857300
Reduced:	NO5C16H23 (1)
Stoich.:	AB5C16D23 (1)
Weight, g/mol:	307.158372
ΔH_f, kcal/mol:	-217.13
Dipole, Da:	3.86
IP(EA), eV:	-9.27(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-(cyclohexanecarbonylamino)-3-(3-fluorophenyl)propanoate

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)NC(CC(=O)OC)C1=CC(=CC=C1)OC

DOS

IR

Vibrations