Geometry & MOs

Info

ID:	307142
PubChem CID:	125275090
Reduced:	OSN4H16C17 (1)
Stoich.:	ABC4D16E17 (1)
Weight, g/mol:	324.104482
ΔH_f, kcal/mol:	104.4
Dipole, Da:	1.92
IP(EA), eV:	-9.31(-1.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4R,7aS)-6-amino-4-[(1R)-cyclohex-2-en-1-yl]-3-thiophen-2-yl-4,7a-dihydropyrano[2,3-c]pyrazole-5-carbonitrile

Drug info:

PubChemData

Smile

C1CC=C[C@H](C1)[C@H]2C(=C(O[C@H]3C2=C(N=N3)C4=CC=CS4)N)C#N

DOS

IR

Vibrations