Geometry & MOs

Info

ID:	143344
PubChem CID:	53195326
Reduced:	NOC9H11 (2)
Stoich.:	ABC9D11 (2)
Weight, g/mol:	413.188546
ΔH_f, kcal/mol:	-38.16
Dipole, Da:	2.88
IP(EA), eV:	-9.12(-0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-cyclohexyl-2-[[1-(4-methoxyphenyl)-3-methylpyrazolo[3,4-d][1,3]thiazol-5-yl]-methylamino]acetamide

Drug info:

PubChemData

Smile

CC1=C(N=C(O1)C2CCC2)C(=O)N(C)CCC3=CC=CC=C3

DOS

IR

Vibrations