Geometry & MOs

Info

ID:	390624
PubChem CID:	135000049
Reduced:	NF3O4H12C15 (1)
Stoich.:	AB3C4D12E15 (1)
Weight, g/mol:	289.204179
ΔH_f, kcal/mol:	-250.68
Dipole, Da:	4.56
IP(EA), eV:	-10.34(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl (1R,2R)-2-[4-(diethylamino)phenyl]cyclopropane-1-carboxylate

Drug info:

PubChemData

Smile

C1CC(=O)N(C1=O)OC(=O)[C@@H]2C[C@H]2C3=CC=C(C=C3)C(F)(F)F

DOS

IR

Vibrations