Geometry & MOs

Info

ID:	397280
PubChem CID:	135029990
Reduced:	ClN2H7C8 (2)
Stoich.:	AB2C7D8 (2)
Weight, g/mol:	361.074868
ΔH_f, kcal/mol:	85.6
Dipole, Da:	1.31
IP(EA), eV:	-9.45(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-chloro-2-(4-chlorophenyl)propyl]-4-(4-methoxyphenyl)triazole

Drug info:

PubChemData

Smile

CC(CN1C=C(N=N1)C2=CN=CC=C2)(C3=CC=C(C=C3)Cl)Cl

DOS

IR

Vibrations