Geometry & MOs

Info

ID:	401668
PubChem CID:	135052071
Reduced:	ClON3H12C16 (1)
Stoich.:	ABC3D12E16 (1)
Weight, g/mol:	367.132077
ΔH_f, kcal/mol:	62.94
Dipole, Da:	2.62
IP(EA), eV:	-9.56(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5-benzoyl-1-cyclohepta-2,4,6-trien-1-yltriazol-4-yl)-phenylmethanone

Drug info:

PubChemData

Smile

CC1=CC=CC=C1C(=O)N/N=C(\C#N)/C2=CC=CC=C2Cl

DOS

IR

Vibrations