Geometry & MOs

Info

ID:	172090
PubChem CID:	75464878
Reduced:	OSN2C11H14 (1)
Stoich.:	ABC2D11E14 (1)
Weight, g/mol:	251.08254
ΔH_f, kcal/mol:	10.86
Dipole, Da:	3.81
IP(EA), eV:	-9.25(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(4,6-dimethylpyrimidin-2-yl)amino]phenol;hydrochloride

Drug info:

PubChemData

Smile

CC1=NN(C2=C1[C@H]3[C@@H](C2)C3(C)C)C(=O)S

DOS

IR

Vibrations