Geometry & MOs

Info

ID:	320132
PubChem CID:	126658433
Reduced:	ClNO5C15H16 (1)
Stoich.:	ABC5D15E16 (1)
Weight, g/mol:	371.17461
ΔH_f, kcal/mol:	-174.86
Dipole, Da:	4.47
IP(EA), eV:	-9.1(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-2-[(Z)-2-(methylideneamino)-2-phenylethenyl]-N-[3-(4-methyl-1,2,4-triazol-3-yl)phenyl]but-2-enamide

Drug info:

PubChemData

Smile

COC1=C2C(=CC(=C1)Cl)C=C(O2)C(=O)NCCCC(=O)OC

DOS

IR

Vibrations