Geometry & MOs

Info

ID:	254736
PubChem CID:	103127290
Reduced:	N3C18H19 (1)
Stoich.:	A3B18C19 (1)
Weight, g/mol:	295.135448
ΔH_f, kcal/mol:	73.22
Dipole, Da:	2.83
IP(EA), eV:	-8.62(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-ethylsulfonyl-1-(1-methylindazol-3-yl)butan-1-amine

Drug info:

PubChemData

Smile

C1CC2=C(C1)C=C(C=C2)CC(C3=C4C=CC=CN4N=C3)N

DOS

IR

Vibrations