Geometry & MOs

Info

ID:	68054
PubChem CID:	46507672
Reduced:	ON4H22C24 (1)
Stoich.:	AB4C22D24 (1)
Weight, g/mol:	379.168462
ΔH_f, kcal/mol:	56.69
Dipole, Da:	4.52
IP(EA), eV:	-8.54(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-1-(4-methylphenyl)-N-(8-methyl-2-phenyl-4H-chromeno[2,3-c]pyrazol-3-yl)methanimine

Drug info:

PubChemData

Smile

C1CN(CCC1C(=O)NC2=CC=CC3=CC=CC=C32)C4=NC5=CC=CC=C5N=C4

DOS

IR

Vibrations