Geometry & MOs

Info

ID:	254522
PubChem CID:	103125860
Reduced:	N3O3H7C9 (1)
Stoich.:	A3B3C7D9 (1)
Weight, g/mol:	217.157898
ΔH_f, kcal/mol:	4.76
Dipole, Da:	3.2
IP(EA), eV:	-9.12(-1.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-(1-methylindazol-3-yl)ethyl]propan-1-amine

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)N2C=CNC2=O)[N+](=O)[O-]

DOS

IR

Vibrations