Geometry & MOs

Info

ID:	68057
PubChem CID:	46507678
Reduced:	ClN2O5H15C19 (1)
Stoich.:	AB2C5D15E19 (1)
Weight, g/mol:	383.14339
ΔH_f, kcal/mol:	-154.08
Dipole, Da:	5.48
IP(EA), eV:	-8.96(-2.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=NC=C(C2=C1OC(=O)C(=C2)C(=O)NC3=CC=C(C=C3)Cl)COC(=O)C

DOS

IR

Vibrations