Geometry & MOs

Info

ID:	226717
PubChem CID:	87557056
Reduced:	PSN4O5C20H23 (1)
Stoich.:	ABC4D5E20F23 (1)
Weight, g/mol:	195.125929
ΔH_f, kcal/mol:	-206.77
Dipole, Da:	5.85
IP(EA), eV:	-8.73(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

acetyl-benzyl-dimethylazanium;hydroxide

Drug info:

PubChemData

Smile

CC1=NC=C(C(=N1)N)CN(C=O)C2=CC=CC3=C2SC=C3C/C=C/CCOP(=O)(O)O

DOS

IR

Vibrations