Geometry & MOs

Info

ID:	418288
PubChem CID:	135104075
Reduced:	O2N4C15H22 (1)
Stoich.:	A2B4C15D22 (1)
Weight, g/mol:	340.135782
ΔH_f, kcal/mol:	-56.72
Dipole, Da:	4.63
IP(EA), eV:	-8.96(-0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N,1-dimethyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethyl)indazole-3-carboxamide

Drug info:

PubChemData

Smile

CCC1=CC(=NC(=N1)N2CCCCC2)N3CC(C3)C(=O)O

DOS

IR

Vibrations