Geometry & MOs

Info

ID:	254831
PubChem CID:	103128044
Reduced:	ON3C16H19 (1)
Stoich.:	AB3C16D19 (1)
Weight, g/mol:	300.140868
ΔH_f, kcal/mol:	39.42
Dipole, Da:	2.91
IP(EA), eV:	-8.61(-0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-(1-methylindazol-3-yl)-2-(1,3-thiazol-5-yl)ethyl]propan-1-amine

Drug info:

PubChemData

Smile

CCNC(CC1=COC=C1)C2=NN(C3=CC=CC=C32)C

DOS

IR

Vibrations