Geometry & MOs

Info

ID:	254594
PubChem CID:	103126371
Reduced:	N5C15H19 (1)
Stoich.:	A5B15C19 (1)
Weight, g/mol:	279.173548
ΔH_f, kcal/mol:	97.12
Dipole, Da:	4.44
IP(EA), eV:	-8.61(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3,4-dimethylphenyl)-1-(1-methylindazol-3-yl)ethanamine

Drug info:

PubChemData

Smile

CCNC(C1=CN(N=C1)CC)C2=C3C=CC=CN3N=C2

DOS

IR

Vibrations