Geometry & MOs

Info

ID:	416066
PubChem CID:	135089074
Reduced:	O2N5C20H27 (1)
Stoich.:	A2B5C20D27 (1)
Weight, g/mol:	330.151433
ΔH_f, kcal/mol:	-41.11
Dipole, Da:	4.12
IP(EA), eV:	-9.14(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N,N-dimethyl-6-[2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethylamino]pyridine-3-carboxamide

Drug info:

PubChemData

Smile

CC1=NC(=C(C=C1)C(=O)N2CCCN(CC2)C(=O)CCN3C=C(C=N3)C)C

DOS

IR

Vibrations