Geometry & MOs

Info

ID:	201551
PubChem CID:	79555443
Reduced:	ClON2C6H7 (1)
Stoich.:	ABC2D6E7 (1)
Weight, g/mol:	309.099252
ΔH_f, kcal/mol:	30.34
Dipole, Da:	2.55
IP(EA), eV:	-9.37(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[1-[(5-chloro-2-nitrophenyl)methyl]triazol-4-yl]methyl]propan-1-amine

Drug info:

PubChemData

Smile

C1CC1C2=C(C(=NO2)N)Cl

DOS

IR

Vibrations