Geometry & MOs

Info

ID:	427687
PubChem CID:	135161334
Reduced:	ClON7C24H32 (1)
Stoich.:	ABC7D24E32 (1)
Weight, g/mol:	391.119988
ΔH_f, kcal/mol:	23.17
Dipole, Da:	9.02
IP(EA), eV:	-8.07(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(E)-2-amino-1-chloro-2-phenylethenyl]-2-(1,3-oxazol-4-ylmethyl)-5-phenylpyrazol-3-amine

Drug info:

PubChemData

Smile

CCN1CCN(CC1)CCN=C(/C(=C(/C2=CC=CC=C2)\N)/C(=C(/C3=CC=CC(=O)N3)\N)/Cl)N

DOS

IR

Vibrations