Geometry & MOs

Info

ID:	307099
PubChem CID:	125267567
Reduced:	FN3O3H22C23 (1)
Stoich.:	AB3C3D22E23 (1)
Weight, g/mol:	316.072703
ΔH_f, kcal/mol:	-52.69
Dipole, Da:	4.94
IP(EA), eV:	-9.08(-1.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R,4S)-6-amino-4-(3-chloro-4-methoxyphenyl)-3-methyl-3,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile

Drug info:

PubChemData

Smile

C1CCN(C[C@@H](C1)C2=CC=C(C=C2)F)C(=O)C3=NN=C(C3)C4=CC5=C(C=C4)OCO5

DOS

IR

Vibrations