Geometry & MOs

Info

ID:	254767
PubChem CID:	103127515
Reduced:	SN5C14H17 (1)
Stoich.:	AB5C14D17 (1)
Weight, g/mol:	270.159295
ΔH_f, kcal/mol:	97.28
Dipole, Da:	1.41
IP(EA), eV:	-8.93(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-methyl-1-(1-methylindazol-3-yl)-2-(2-methyl-1,2,4-triazol-3-yl)ethanamine

Drug info:

PubChemData

Smile

CCNC(CC1=CSC(=N1)C)C2=C3C=NC=CN3N=C2

DOS

IR

Vibrations