Geometry & MOs

Info

ID:	347174
PubChem CID:	127271715
Reduced:	ON6C18H22 (1)
Stoich.:	AB6C18D22 (1)
Weight, g/mol:	368.167083
ΔH_f, kcal/mol:	47.95
Dipole, Da:	4.56
IP(EA), eV:	-9.15(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1,3-benzothiazol-2-ylmethyl)-3-cyclohexyl-N,1-dimethylpyrazole-4-carboxamide

Drug info:

PubChemData

Smile

CN1C=C(C(=N1)C2CCCCC2)C(=O)NCC3=NN=C4N3C=CC=C4

DOS

IR

Vibrations