Geometry & MOs

Info

ID:	285169
PubChem CID:	104098453
Reduced:	N7C9H13 (1)
Stoich.:	A7B9C13 (1)
Weight, g/mol:	239.117095
ΔH_f, kcal/mol:	84.7
Dipole, Da:	4.15
IP(EA), eV:	-9.23(-0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(triazol-1-yl)ethyl]quinolin-4-amine

Drug info:

PubChemData

Smile

CC1=CC(=NC(=N1)N)NCCN2C=CN=N2

DOS

IR

Vibrations