Geometry & MOs

Info

ID:	167307
PubChem CID:	74807451
Reduced:	FO4N5C27H30 (1)
Stoich.:	AB4C5D27E30 (1)
Weight, g/mol:	447.198048
ΔH_f, kcal/mol:	-95.25
Dipole, Da:	6.96
IP(EA), eV:	-8.88(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-(1,3-benzothiazol-2-yl)-2-[(dimethylamino)methyl]phenoxy]-N-(2-bicyclo[2.2.1]hept-5-enylmethyl)acetamide

Drug info:

PubChemData

Smile

COC1=CC=CC=C1C=CCN2CC(CC2C(=O)NCCC3=CC=C(C=C3)F)N4C=C(N=N4)C(=O)OC

DOS

IR

Vibrations