Geometry & MOs

Info

ID:	342651
PubChem CID:	127265811
Reduced:	ClNO2C14H18 (1)
Stoich.:	ABC2D14E18 (1)
Weight, g/mol:	320.153621
ΔH_f, kcal/mol:	-85.73
Dipole, Da:	2.22
IP(EA), eV:	-9.56(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[4-fluoro-3-(hex-5-ynoylamino)phenyl]carbamate

Drug info:

PubChemData

Smile

CC=CCC(CO)NC(=O)C1=C(C=C(C=C1)C)Cl

DOS

IR

Vibrations