Geometry & MOs

Info

ID:	22958
PubChem CID:	600129
Reduced:	ION4H11C14 (1)
Stoich.:	ABC4D11E14 (1)
Weight, g/mol:	377.99776
ΔH_f, kcal/mol:	87.47
Dipole, Da:	4.73
IP(EA), eV:	-8.93(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-amino-4-(2-iodophenyl)-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=CC=C3I

DOS

IR

Vibrations