Geometry & MOs

Info

ID:	59613
PubChem CID:	24890432
Reduced:	OSN8C22H26 (1)
Stoich.:	ABC8D22E26 (1)
Weight, g/mol:	390.091725
ΔH_f, kcal/mol:	86.69
Dipole, Da:	7.6
IP(EA), eV:	-8.98(-1.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-(2-aminoethoxy)-3-(4-chloro-2-methylpyrazol-3-yl)phenyl]-5-methylthiophene-2-carboxamide

Drug info:

PubChemData

Smile

CC[C@@H]1C2=NN=CN2C3=CN=C(N=C3N1C4CCCC4)NC5=CC=C(S5)C(=O)NC6CC6

DOS

IR

Vibrations