Geometry & MOs

Info

ID:	183657
PubChem CID:	77050989
Reduced:	OSN3C16H31 (1)
Stoich.:	ABC3D16E31 (1)
Weight, g/mol:	191.107692
ΔH_f, kcal/mol:	-85.74
Dipole, Da:	5.26
IP(EA), eV:	-9.0(0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-chlorobut-2-enyl(propan-2-yl)amino]ethanol

Drug info:

PubChemData

Smile

CCCNC1CCC(CC1SC2NC(CC(=O)N2)C)CC

DOS

IR

Vibrations