Geometry & MOs

Info

ID:	187339
PubChem CID:	77560653
Reduced:	N2O9C33H46 (1)
Stoich.:	A2B9C33D46 (1)
Weight, g/mol:	338.9523
ΔH_f, kcal/mol:	-356.3
Dipole, Da:	4.82
IP(EA), eV:	-8.14(0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-chloro-3-(4-iodophenyl)propan-2-yl]carbamic acid

Drug info:

PubChemData

Smile

COCCCN1CCOC2=C1C=C(C=C2)COC3CN(CC(C3C4=CC=C(C=C4)OC)OCCC5(CCOCC5)O)C(=O)O

DOS

IR

Vibrations