Geometry & MOs

Info

ID:	216777
PubChem CID:	85086758
Reduced:	BrClNO2H7C11 (1)
Stoich.:	ABCD2E7F11 (1)
Weight, g/mol:	301.01749
ΔH_f, kcal/mol:	5.39
Dipole, Da:	1.9
IP(EA), eV:	-9.83(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1-butoxy-3-iodopropan-2-yl) carbamate

Drug info:

PubChemData

Smile

COC(=O)C(=C(C1=CC=CC=C1Cl)Br)[N+]#[C-]

DOS

IR

Vibrations