Geometry & MOs

Info

ID:	402018
PubChem CID:	135053880
Reduced:	ClFH18C23 (1)
Stoich.:	ABC18D23 (1)
Weight, g/mol:	257.199094
ΔH_f, kcal/mol:	23.28
Dipole, Da:	2.22
IP(EA), eV:	-9.16(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[1-[(Z)-prop-1-enoxy]hexyl]carbamate

Drug info:

PubChemData

Smile

C1[C@H]([C@H](C=C1C2=CC=C(C=C2)Cl)C3=CC=CC=C3)C4=CC=C(C=C4)F

DOS

IR

Vibrations