Geometry & MOs

Info

ID:	287656
PubChem CID:	104250549
Reduced:	NOCl2C11H15 (1)
Stoich.:	ABC2D11E15 (1)
Weight, g/mol:	226.179361
ΔH_f, kcal/mol:	-52.81
Dipole, Da:	2.07
IP(EA), eV:	-9.6(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-methoxy-1-(2-propyl-1,2,4-triazol-3-yl)pentan-2-amine

Drug info:

PubChemData

Smile

CC(CC(C1=C(C=CC(=C1)Cl)Cl)N)OC

DOS

IR

Vibrations