Geometry & MOs

Info

ID:	254650
PubChem CID:	103126735
Reduced:	ClN2H6C7 (2)
Stoich.:	AB2C6D7 (2)
Weight, g/mol:	299.145619
ΔH_f, kcal/mol:	82.36
Dipole, Da:	4.5
IP(EA), eV:	-9.27(-1.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-(1-methylindazol-3-yl)-2-thiophen-3-ylethyl]propan-1-amine

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1CC(C2=C3C=NC=CN3N=C2)N)Cl)Cl

DOS

IR

Vibrations