Geometry & MOs

Info

ID:	405723
PubChem CID:	135075160
Reduced:	O2Cl3H7C9 (1)
Stoich.:	A2B3C7D9 (1)
Weight, g/mol:	493.18277
ΔH_f, kcal/mol:	-51.28
Dipole, Da:	3.53
IP(EA), eV:	-8.9(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-(phenylmethoxycarbonylamino)hexyl 11-bromoundec-10-ynoate

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)OC(=C(Cl)Cl)Cl

DOS

IR

Vibrations