Geometry & MOs

Info

ID:	293145
PubChem CID:	117374964
Reduced:	ClON2C13H13 (1)
Stoich.:	ABC2D13E13 (1)
Weight, g/mol:	248.082874
ΔH_f, kcal/mol:	9.89
Dipole, Da:	1.22
IP(EA), eV:	-8.85(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[[3-chloro-4-(1,2,4-triazol-1-yl)phenyl]methyl]cyclopropan-1-amine

Drug info:

PubChemData

Smile

COC1=NC2=C(C=C1)C(=C(C=C2)/C=C/CN)Cl

DOS

IR

Vibrations