Geometry & MOs

Info

ID:	298685
PubChem CID:	117653918
Reduced:	O2N5C12H19 (1)
Stoich.:	A2B5C12D19 (1)
Weight, g/mol:	193.073893
ΔH_f, kcal/mol:	-49.21
Dipole, Da:	6.46
IP(EA), eV:	-8.83(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-hydroxyphenyl)-2-methyl-1-oxidoazet-1-ium-2-ol

Drug info:

PubChemData

Smile

CC1CN(CCN1)C(=O)NC2=CN=C(N=C2C)OC

DOS

IR

Vibrations