Geometry & MOs

Info

ID:	68055
PubChem CID:	46507676
Reduced:	ON3H21C25 (1)
Stoich.:	AB3C21D25 (1)
Weight, g/mol:	433.140197
ΔH_f, kcal/mol:	99.99
Dipole, Da:	5.45
IP(EA), eV:	-8.36(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)/C=N/C2=C3CC4=CC=CC(=C4OC3=NN2C5=CC=CC=C5)C

DOS

IR

Vibrations