Geometry & MOs

Info

ID:	254849
PubChem CID:	103128135
Reduced:	BrN4C16H17 (1)
Stoich.:	AB4C16D17 (1)
Weight, g/mol:	269.189198
ΔH_f, kcal/mol:	92.81
Dipole, Da:	6.69
IP(EA), eV:	-8.9(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(1-methylindazol-3-yl)-N-propylhex-4-yn-1-amine

Drug info:

PubChemData

Smile

CCNC(CC1=CC(=CN=C1)Br)C2=C3C=CC=CN3N=C2

DOS

IR

Vibrations