Geometry & MOs

Info

ID:	39882
PubChem CID:	8142691
Reduced:	ON5C19H26 (1)
Stoich.:	AB5C19D26 (1)
Weight, g/mol:	353.156184
ΔH_f, kcal/mol:	38.17
Dipole, Da:	2.67
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.830257
Charge, e:	0

Chem-info

IUPAC name:

N-(1,3-benzothiazol-2-ylmethyl)-N-methyl-2-[methyl-[(4-methylphenyl)methyl]amino]acetamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C[NH+](C)CC(=O)N2CCN(CC2)C3=NC=CC=N3

DOS

IR

Vibrations