Geometry & MOs

Info

ID:	173634
PubChem CID:	75664080
Reduced:	SO3N4C15H17 (1)
Stoich.:	AB3C4D15E17 (1)
Weight, g/mol:	286.088832
ΔH_f, kcal/mol:	-2.48
Dipole, Da:	4.24
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.789170
Charge, e:	0

Chem-info

IUPAC name:

6-amino-3-propan-2-yl-4-thiophen-2-yl-3a,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile

Drug info:

PubChemData

Smile

CC1CN(CC(O1)C)C(C2=CC=CO2)C3=C(N4C(=NC=N4)S3)[O-]

DOS

IR

Vibrations