Geometry & MOs

Info

ID:	364200
PubChem CID:	127314503
Reduced:	O2N3C21H23 (1)
Stoich.:	A2B3C21D23 (1)
Weight, g/mol:	383.177982
ΔH_f, kcal/mol:	-30.78
Dipole, Da:	8.16
IP(EA), eV:	-8.53(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[1,3-benzothiazol-2-yl(methyl)amino]-1-(1-methyl-2-propan-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)ethanone

Drug info:

PubChemData

Smile

CC(C)C1=NC2=C(N1C)CCN(C2)C(=O)C3=CC4=CC=CC=C4C=C3O

DOS

IR

Vibrations