Geometry & MOs

Info

ID:	149731
PubChem CID:	53789406
Reduced:	O2C22H39 (2)
Stoich.:	A2B22C39 (2)
Weight, g/mol:	400.06477
ΔH_f, kcal/mol:	-310.27
Dipole, Da:	3.29
IP(EA), eV:	-10.35(-1.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[[cyclopropyl(cyclopropylidene)methyl]amino]oxy-3-(2-iodoanilino)propan-2-ol

Drug info:

PubChemData

Smile

CCCCCCCCCCCCCCCCCCOC(=O)C1=CC=C(C=C1)C(=O)OCCCCCCCCCCCCCCCC(C)C

DOS

IR

Vibrations