Geometry & MOs

Info

ID:	398948
PubChem CID:	135036514
Reduced:	OH6C7 (3)
Stoich.:	AB6C7 (3)
Weight, g/mol:	373.09819
ΔH_f, kcal/mol:	-47.73
Dipole, Da:	4.5
IP(EA), eV:	-9.1(-1.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[1-(2-chlorophenyl)triazol-4-yl]-5-methylphenyl]-phenylmethanone

Drug info:

PubChemData

Smile

COC1=C2C(=O)C=CC(=O)C2=C(C=C1)C3CCCC4=CC=CC=C34

DOS

IR

Vibrations