Geometry & MOs

Info

ID:	149084
PubChem CID:	53788755
Reduced:	NO3C23H25 (1)
Stoich.:	AB3C23D25 (1)
Weight, g/mol:	300.95998
ΔH_f, kcal/mol:	-56.98
Dipole, Da:	3.02
IP(EA), eV:	-8.2(-0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(3-iodoprop-2-ynyl)phenyl] carbamate

Drug info:

PubChemData

Smile

CC(CNC1=CC(=C(C=C1)OCC2=CC=CC=C2)OCC3=CC=CC=C3)O

DOS

IR

Vibrations