Geometry & MOs

Info

ID:	403130
PubChem CID:	135058876
Reduced:	O4H16C17 (1)
Stoich.:	A4B16C17 (1)
Weight, g/mol:	389.131031
ΔH_f, kcal/mol:	-72.48
Dipole, Da:	3.04
IP(EA), eV:	-9.2(-0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,3-dimethyl-5-[(Z)-[5-(4-methylphenyl)-3-phenyl-1,3,4-thiadiazol-2-ylidene]amino]pyrazole-4-carbaldehyde

Drug info:

PubChemData

Smile

C=CCOC1=C(C(=CO1)C2=CC=CC=C2)C(=O)OCC=C

DOS

IR

Vibrations