Geometry & MOs

Info

ID:	36332
PubChem CID:	8001801
Reduced:	OSN4H16C18 (1)
Stoich.:	ABC4D16E18 (1)
Weight, g/mol:	272.105346
ΔH_f, kcal/mol:	61.63
Dipole, Da:	5.0
IP(EA), eV:	-8.56(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

(3-chloro-5-methoxy-4-prop-2-enoxyphenyl)methyl-(2-hydroxyethyl)azanium

Drug info:

PubChemData

Smile

C1CN(C2=CC=CC=C21)C(=O)C3=CC=C(C=C3)CSC4=NC=NN4

DOS

IR

Vibrations