Geometry & MOs

Info

ID:	79797
PubChem CID:	49830467
Reduced:	O3N4C16H16 (1)
Stoich.:	A3B4C16D16 (1)
Weight, g/mol:	361.124883
ΔH_f, kcal/mol:	-9.68
Dipole, Da:	5.63
IP(EA), eV:	-9.23(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-phenyl-3-[(6-pyridin-4-yl-1,3-benzothiazol-2-yl)amino]propan-1-ol

Drug info:

PubChemData

Smile

C1CC(CN(C1)C(=O)C2=NOC(=C2)C3=CC4=C(C=C3)NN=C4)O

DOS

IR

Vibrations