Geometry & MOs

Info

ID:	254777
PubChem CID:	103127580
Reduced:	N6C13H16 (1)
Stoich.:	A6B13C16 (1)
Weight, g/mol:	299.145619
ΔH_f, kcal/mol:	103.18
Dipole, Da:	4.77
IP(EA), eV:	-8.86(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1-methylindazol-3-yl)-(5-methylthiophen-2-yl)methyl]propan-1-amine

Drug info:

PubChemData

Smile

CCN1C(=NC=N1)CC(C2=C3C=CC=CN3N=C2)N

DOS

IR

Vibrations