Geometry & MOs

Info

ID:	438081
PubChem CID:	135227652
Reduced:	ClSO3N5C21H30 (1)
Stoich.:	ABC3D5E21F30 (1)
Weight, g/mol:	373.10149
ΔH_f, kcal/mol:	-25.46
Dipole, Da:	5.59
IP(EA), eV:	-7.18(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-ethyl-N-[[4-(2-iodoethyl)piperazin-1-yl]methyl]aniline

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1Cl)C2=CN=CN2C)OCC3=NN(C(=O)N3C)COCCS(C)(C)C

DOS

IR

Vibrations