Geometry & MOs

Info

ID:	290390
PubChem CID:	104442258
Reduced:	SO2N6C10H14 (1)
Stoich.:	AB2C6D10E14 (1)
Weight, g/mol:	312.090852
ΔH_f, kcal/mol:	9.56
Dipole, Da:	5.14
IP(EA), eV:	-9.36(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3,4-dichlorophenyl)-N-[3-(triazol-1-yl)propyl]propan-1-amine

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1S(=O)(=O)N)NCCN2C=CN=N2)N

DOS

IR

Vibrations