Geometry & MOs

Info

ID:	22960
PubChem CID:	600136
Reduced:	OCl2N4H10C14 (1)
Stoich.:	AB2C4D10E14 (1)
Weight, g/mol:	320.023166
ΔH_f, kcal/mol:	54.65
Dipole, Da:	5.06
IP(EA), eV:	-9.29(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C2C(C(=C(OC2=NN1)N)C#N)C3=CC(=C(C=C3)Cl)Cl

DOS

IR

Vibrations