Geometry & MOs

Info

ID:	233327
PubChem CID:	89650040
Reduced:	BrNO2H14C17 (1)
Stoich.:	ABC2D14E17 (1)
Weight, g/mol:	408.138639
ΔH_f, kcal/mol:	-32.36
Dipole, Da:	4.94
IP(EA), eV:	-8.81(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-amino-4-(4-fluorophenyl)-1,3-diphenyl-4H-pyrano[2,3-c]pyrazole-5-carbonitrile

Drug info:

PubChemData

Smile

CCOC(=O)C1=CC2=C(C=C1)NC(=C2)C3=CC=CC=C3Br

DOS

IR

Vibrations