Geometry & MOs

Info

ID:	90055
PubChem CID:	49966040
Reduced:	NCl2F2O3H17C22 (1)
Stoich.:	AB2C2D3E17F22 (1)
Weight, g/mol:	362.070116
ΔH_f, kcal/mol:	-162.99
Dipole, Da:	3.33
IP(EA), eV:	-9.92(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-amino-3-butyl-4-(2,6-dichlorophenyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile

Drug info:

PubChemData

Smile

CCOC(=O)N1C/C(=C\C2=C(C=CC=C2Cl)F)/C(=O)/C(=C/C3=C(C=CC=C3Cl)F)/C1

DOS

IR

Vibrations