Geometry & MOs

Info

ID:	311325
PubChem CID:	126590486
Reduced:	FSN3O4H24C27 (1)
Stoich.:	ABC3D4E24F27 (1)
Weight, g/mol:	275.98902
ΔH_f, kcal/mol:	-96.86
Dipole, Da:	8.13
IP(EA), eV:	-8.65(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N'-(3-chloropropyl)-1-iodo-N-methylethane-1,2-diamine

Drug info:

PubChemData

Smile

C1COCCN1CC2=CC(=CC=C2)C3=CC4=NC=CC(=C4S3)OC5=C(C=C(C=C5)NC(=O)CC=O)F

DOS

IR

Vibrations