Geometry & MOs

Info

ID:	123481
PubChem CID:	50849701
Reduced:	NCl2O2C12H15 (1)
Stoich.:	AB2C2D12E15 (1)
Weight, g/mol:	368.127326
ΔH_f, kcal/mol:	-87.52
Dipole, Da:	2.8
IP(EA), eV:	-9.57(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(6E)-2-methyl-6-(5-phenyl-3H-1,3-benzoxazol-2-ylidene)-4-(1,2,4-triazol-4-yl)cyclohexa-2,4-dien-1-one

Drug info:

PubChemData

Smile

CCN(CC)C(=O)C1=C(C(=CC(=C1)Cl)Cl)OC

DOS

IR

Vibrations