Geometry & MOs

Info

ID:	322220
PubChem CID:	126669244
Reduced:	F3C22H27 (1)
Stoich.:	A3B22C27 (1)
Weight, g/mol:	389.139386
ΔH_f, kcal/mol:	-146.27
Dipole, Da:	3.93
IP(EA), eV:	-9.03(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[1-(4-chlorophenyl)-3-(2-formylphenoxy)propan-2-yl]carbamate

Drug info:

PubChemData

Smile

CCC(=C)/C=C(/C1=CC=C(C=C1)C(F)(F)F)\C(=C(C)C)C2CCCC2

DOS

IR

Vibrations