Geometry & MOs

Info

ID:	263903
PubChem CID:	103406375
Reduced:	ClOSN3H12C14 (1)
Stoich.:	ABCD3E12F14 (1)
Weight, g/mol:	311.122297
ΔH_f, kcal/mol:	30.66
Dipole, Da:	3.14
IP(EA), eV:	-8.43(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-(3-chloro-4-methylthiophen-2-yl)-2-(2,5-dimethylpyrazol-3-yl)ethyl]propan-1-amine

Drug info:

PubChemData

Smile

CC1=CSC(=C1Cl)C2=NC3=C(C=C(C=C3)OC)C(=N2)N

DOS

IR

Vibrations