Geometry & MOs

Info

ID:	271636
PubChem CID:	103686477
Reduced:	ClNSO3C15H16 (1)
Stoich.:	ABCD3E15F16 (1)
Weight, g/mol:	213.209264
ΔH_f, kcal/mol:	-90.24
Dipole, Da:	3.7
IP(EA), eV:	-9.09(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[hept-6-enyl(methyl)amino]pentan-1-ol

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)Cl)OCC(=O)NCC(C2=CSC=C2)O

DOS

IR

Vibrations