Geometry & MOs

Info

ID:	425632
PubChem CID:	135127035
Reduced:	NO5C27H38 (1)
Stoich.:	AB5C27D38 (1)
Weight, g/mol:	244.95489
ΔH_f, kcal/mol:	-180.79
Dipole, Da:	4.24
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.982344
Charge, e:	0

Chem-info

IUPAC name:

3-hydroxypropyl N-iodocarbamate

Drug info:

PubChemData

Smile

CCC(C)C(=O)OCC(C)(CO)C(=O)OCC1=CC=C(C=C1)C[N+](C)(C)CC2=CC=CC=C2

DOS

IR

Vibrations