Geometry & MOs

Info

ID:	161657
PubChem CID:	57392267
Reduced:	N3H17C20 (1)
Stoich.:	A3B17C20 (1)
Weight, g/mol:	341.12949
ΔH_f, kcal/mol:	118.23
Dipole, Da:	4.33
IP(EA), eV:	-8.92(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(1S)-2-(4-chlorophenyl)-1-(4-methoxyphenyl)butyl]-1,2,4-triazole

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)[C@@H](C2=CC=C(C=C2)N3C=CC=C3)N4C=CN=C4

DOS

IR

Vibrations