Geometry & MOs

Info

ID:	292408
PubChem CID:	115001297
Reduced:	ClON4C10H11 (1)
Stoich.:	ABC4D10E11 (1)
Weight, g/mol:	238.073372
ΔH_f, kcal/mol:	45.7
Dipole, Da:	7.28
IP(EA), eV:	-9.38(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-chloro-N-(3-imidazol-1-ylpropyl)-1,2,4-triazin-5-amine

Drug info:

PubChemData

Smile

CC1=C(C=CO1)CN(C)C2=CN=NC(=N2)Cl

DOS

IR

Vibrations