Geometry & MOs

Info

ID:	293146
PubChem CID:	117374965
Reduced:	ClN4C12H13 (1)
Stoich.:	AB4C12D13 (1)
Weight, g/mol:	248.082874
ΔH_f, kcal/mol:	83.02
Dipole, Da:	4.62
IP(EA), eV:	-9.59(-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]cyclobutan-1-amine

Drug info:

PubChemData

Smile

C1CC1(CC2=CC(=C(C=C2)N3C=NC=N3)Cl)N

DOS

IR

Vibrations