Geometry & MOs

Info

ID:	254575
PubChem CID:	103126231
Reduced:	ClN3C17H18 (1)
Stoich.:	AB3C17D18 (1)
Weight, g/mol:	280.168797
ΔH_f, kcal/mol:	72.95
Dipole, Da:	3.64
IP(EA), eV:	-8.52(-0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CNC(CC1=CC=CC=C1Cl)C2=NN(C3=CC=CC=C32)C

DOS

IR

Vibrations